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Showing metabocard for Musabalbisiane B (HMDB0038681)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:00:57 UTC
Update Date2022-03-07 02:55:52 UTC
HMDB IDHMDB0038681
Secondary Accession Numbers
  • HMDB38681
Metabolite Identification
Common NameMusabalbisiane B
DescriptionMusabalbisiane B belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations. Based on a literature review a significant number of articles have been published on Musabalbisiane B.
Structure
Data?1563863239
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0038681 (Musabalbisiane B)


  Mrv0541 01291301502D          

 35 38  0  0  0  0            999 V2000
   -6.3580   -2.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0725   -3.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0725   -4.2259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3580   -4.6384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6435   -4.2259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6435   -3.4008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9291   -4.6384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2146   -4.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2146   -3.4008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -5.5965   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9291   -5.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3973   -6.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9732   -8.0252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5716   -0.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4021   -8.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for HMDB0038681 (Musabalbisiane B)

HMDB0038681
     RDKit          3D
Musabalbisiane B
 65 68  0  0  0  0  0  0  0  0999 V2000
   -4.3282   -1.1414    1.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6439   -0.2083    1.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7238    0.5231    0.2943 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9461    1.9642    0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3548    2.3916    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2194    1.5976    0.2021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7000    3.6795    0.9261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2514    0.2520   -1.0544 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4235   -0.5515   -1.0463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3429   -0.2596   -2.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0293   -0.8334   -1.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785    0.0537   -0.5510 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.4900    0.5582   -0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6892    1.4231    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0693    1.4989    0.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6478    0.7203   -0.0052 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0463   -2.5292    0.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3427   -2.0502    1.1135 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5279    2.7573    2.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
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 35 65  1  0
M  END
Download

3D SDF for HMDB0038681 (Musabalbisiane B)


  Mrv0541 01291301502D          

 35 38  0  0  0  0            999 V2000
   -6.3580   -2.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0725   -3.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0725   -4.2259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3580   -4.6384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6435   -4.2259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6435   -3.4008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9291   -4.6384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2146   -4.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2146   -3.4008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9291   -2.9883    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5965   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3416   -1.7188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -4.9291   -5.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6828   -7.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7870   -4.6384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9732   -8.0252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5293   -7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4512   -8.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2796   -7.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3082   -5.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4770   -2.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5001   -3.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7857   -3.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8265   -1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2390    0.2181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9064   -0.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6515   -1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5716   -0.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4021   -8.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
 10  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
  7 15  1  1  0  0  0
  5 16  1  1  0  0  0
  3 17  1  6  0  0  0
  4 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  4 23  1  6  0  0  0
 23 24  2  0  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
 14 27  1  1  0  0  0
  9 28  1  6  0  0  0
 28 29  1  0  0  0  0
 12 30  1  1  0  0  0
 33 30  1  0  0  0  0
 30 34  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 31 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038681

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@@H]1C[C@@H](O)[C@@]2(C(O)=O)[C@](CO)(CC[C@@H](O)[C@@]2(CC(O)=O)C=O)[C@@]11C[C@H](O[C@H]1O)C1=COC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C23H30O12/c24-8-13-5-16(28)23(18(31)32)20(10-25,7-17(29)30)15(27)1-3-21(23,11-26)22(13)6-14(35-19(22)33)12-2-4-34-9-12/h2,4,9-10,13-16,19,24,26-28,33H,1,3,5-8,11H2,(H,29,30)(H,31,32)/t13-,14-,15+,16+,19+,20+,21-,22-,23-/m0/s1

> <INCHI_KEY>
DGMXGJQMPUKDQN-VLGBJMDQSA-N

> <FORMULA>
C23H30O12

> <MOLECULAR_WEIGHT>
498.4771

> <EXACT_MASS>
498.173726424

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
47.555933010945424

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,2'R,4R,4aR,5S,5'S,6R,8aS)-5-(carboxymethyl)-5-formyl-5'-(furan-3-yl)-2',4,6-trihydroxy-2,8a-bis(hydroxymethyl)-octahydro-2H-spiro[naphthalene-1,3'-oxolane]-4a-carboxylic acid

> <ALOGPS_LOGP>
-1.13

> <JCHEM_LOGP>
-2.5748307226666673

> <ALOGPS_LOGS>
-0.97

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.42433432410552

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.656882570672075

> <JCHEM_PKA_STRONGEST_BASIC>
-2.606672717016771

> <JCHEM_POLAR_SURFACE_AREA>
215.18999999999997

> <JCHEM_REFRACTIVITY>
113.70239999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.40e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,2'R,4R,4aR,5S,5'S,6R,8aS)-5-(carboxymethyl)-5-formyl-5'-(furan-3-yl)-2',4,6-trihydroxy-2,8a-bis(hydroxymethyl)-hexahydrospiro[naphthalene-1,3'-oxolane]-4a-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0038681 (Musabalbisiane B)

HMDB0038681
     RDKit          3D
Musabalbisiane B
 65 68  0  0  0  0  0  0  0  0999 V2000
   -4.3282   -1.1414    1.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6439   -0.2083    1.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7238    0.5231    0.2943 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9461    1.9642    0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3548    2.3916    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2194    1.5976    0.2021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7000    3.6795    0.9261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2514    0.2520   -1.0544 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4235   -0.5515   -1.0463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3429   -0.2596   -2.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0293   -0.8334   -1.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785    0.0537   -0.5510 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2882    1.3976   -1.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4865    1.4202   -2.3532 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9683   -0.5553   -0.2469 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0485    0.4782    0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    0.2004   -0.9443 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4900    0.5582   -0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6892    1.4231    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0693    1.4989    0.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6478    0.7203   -0.0052 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7451    0.1432   -0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9822   -1.1328   -1.1958 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6180   -1.1804   -1.4872 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1503   -2.4481   -1.7372 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9767   -1.5178    0.8706 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0463   -2.5292    0.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3427   -2.0502    1.1135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3104   -2.2461    1.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226   -1.4081    1.0698 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0931   -1.4728    2.3660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3401    0.0183    0.6089 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8893    0.8174    1.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9220    0.3219    2.9476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4234    2.1120    1.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6804    0.1624    2.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7347    2.0902    1.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3754    2.6695    0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1294    4.4909    0.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6480    1.2387   -1.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9947   -0.3605   -1.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961    0.4391   -2.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8533   -1.1237   -2.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4130   -0.9095   -2.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -1.8529   -1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3152    1.6311   -1.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0330    2.2485   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    2.0361   -3.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675    1.5069   -0.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    0.3863    1.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0680    0.7414   -1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684    1.9676    1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5611    2.0947    1.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9690   -0.5437   -1.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5156   -0.5907   -2.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119   -2.6870   -2.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1265   -0.8759    1.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8547   -3.0632    1.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9842   -3.3598    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9265   -2.8444    1.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3221   -3.1631    0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1382   -2.7305    2.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2632   -1.9539    0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401   -2.4383    2.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5279    2.7573    2.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  3  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 13 14  1  0
 12 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 17 23  1  0
 23 24  1  0
 24 25  1  0
 15 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  1
 33 34  2  0
 33 35  1  0
 32  3  1  0
 32 12  1  0
 24 15  1  0
 22 18  2  0
  2 36  1  0
  4 37  1  0
  4 38  1  0
  7 39  1  0
  8 40  1  6
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 13 46  1  0
 13 47  1  0
 14 48  1  0
 16 49  1  0
 16 50  1  0
 17 51  1  6
 19 52  1  0
 20 53  1  0
 22 54  1  0
 24 55  1  6
 25 56  1  0
 26 57  1  1
 27 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 29 62  1  0
 30 63  1  6
 31 64  1  0
 35 65  1  0
M  END
Download

PDB for HMDB0038681 (Musabalbisiane B)

HEADER    PROTEIN                                 29-JAN-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JAN-13         0                                  
HETATM    1  C   UNK     0     -11.868  -5.578   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -13.202  -6.348   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -13.202  -7.888   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -11.868  -8.658   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.535  -7.888   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -10.535  -6.348   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.201  -8.658   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.867  -7.888   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -7.867  -6.348   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -9.201  -5.578   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -10.447  -4.673   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -9.971  -3.208   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -8.431  -3.208   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -7.955  -4.673   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -9.201 -10.198   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0     -10.608 -14.195   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -14.536  -8.658   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0     -11.942 -12.252   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -9.283 -14.980   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0     -14.055 -13.755   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0     -13.909 -15.288   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0     -15.455 -13.115   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0     -13.642 -10.528   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0     -13.601 -12.068   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0     -11.818  -3.401   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0     -13.348  -3.228   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -6.490  -5.149   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -6.534  -7.118   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -5.200  -6.348   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0     -10.876  -1.963   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0     -11.646   0.407   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0     -12.892  -0.498   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -12.416  -1.963   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -10.400  -0.498   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0     -11.951 -14.949   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   17                                                  
CONECT    4    3    5   18   23                                             
CONECT    5    4    6    7   16                                             
CONECT    6    1   10    5   25                                             
CONECT    7    5    8   15                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   28                                                  
CONECT   10    6    9   11   14                                             
CONECT   11   10   12                                                       
CONECT   12   11   13   30                                                  
CONECT   13   12   14                                                       
CONECT   14   13   10   27                                                  
CONECT   15    7                                                            
CONECT   16    5   19   35                                                  
CONECT   17    3                                                            
CONECT   18    4   20                                                       
CONECT   19   16                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23    4   24                                                       
CONECT   24   23                                                            
CONECT   25    6   26                                                       
CONECT   26   25                                                            
CONECT   27   14                                                            
CONECT   28    9   29                                                       
CONECT   29   28                                                            
CONECT   30   12   33   34                                                  
CONECT   31   32   34                                                       
CONECT   32   31   33                                                       
CONECT   33   30   32                                                       
CONECT   34   30   31                                                       
CONECT   35   16                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END
Download

3D PDB for HMDB0038681 (Musabalbisiane B)

COMPND    HMDB0038681
HETATM    1  O1  UNL     1      -4.328  -1.141   1.011  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.644  -0.208   1.261  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.724   0.523   0.294  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.946   1.964   0.728  1.00  0.00           C  
HETATM    5  C4  UNL     1      -4.355   2.392   0.600  1.00  0.00           C  
HETATM    6  O2  UNL     1      -5.219   1.598   0.202  1.00  0.00           O  
HETATM    7  O3  UNL     1      -4.700   3.679   0.926  1.00  0.00           O  
HETATM    8  C5  UNL     1      -3.251   0.252  -1.054  1.00  0.00           C  
HETATM    9  O4  UNL     1      -4.423  -0.552  -1.046  1.00  0.00           O  
HETATM   10  C6  UNL     1      -2.343  -0.260  -2.098  1.00  0.00           C  
HETATM   11  C7  UNL     1      -1.029  -0.833  -1.625  1.00  0.00           C  
HETATM   12  C8  UNL     1      -0.379   0.054  -0.551  1.00  0.00           C  
HETATM   13  C9  UNL     1      -0.288   1.398  -1.199  1.00  0.00           C  
HETATM   14  O5  UNL     1       0.486   1.420  -2.353  1.00  0.00           O  
HETATM   15  C10 UNL     1       0.968  -0.555  -0.247  1.00  0.00           C  
HETATM   16  C11 UNL     1       2.049   0.478   0.054  1.00  0.00           C  
HETATM   17  C12 UNL     1       3.175   0.200  -0.944  1.00  0.00           C  
HETATM   18  C13 UNL     1       4.490   0.558  -0.397  1.00  0.00           C  
HETATM   19  C14 UNL     1       4.689   1.423   0.656  1.00  0.00           C  
HETATM   20  C15 UNL     1       6.069   1.499   0.873  1.00  0.00           C  
HETATM   21  O6  UNL     1       6.648   0.720  -0.005  1.00  0.00           O  
HETATM   22  C16 UNL     1       5.745   0.143  -0.778  1.00  0.00           C  
HETATM   23  O7  UNL     1       2.982  -1.133  -1.196  1.00  0.00           O  
HETATM   24  C17 UNL     1       1.618  -1.180  -1.487  1.00  0.00           C  
HETATM   25  O8  UNL     1       1.150  -2.448  -1.737  1.00  0.00           O  
HETATM   26  C18 UNL     1       0.977  -1.518   0.871  1.00  0.00           C  
HETATM   27  C19 UNL     1       2.046  -2.529   0.975  1.00  0.00           C  
HETATM   28  O9  UNL     1       3.343  -2.050   1.114  1.00  0.00           O  
HETATM   29  C20 UNL     1      -0.310  -2.246   1.139  1.00  0.00           C  
HETATM   30  C21 UNL     1      -1.523  -1.408   1.070  1.00  0.00           C  
HETATM   31  O10 UNL     1      -2.093  -1.473   2.366  1.00  0.00           O  
HETATM   32  C22 UNL     1      -1.340   0.018   0.609  1.00  0.00           C  
HETATM   33  C23 UNL     1      -0.889   0.817   1.785  1.00  0.00           C  
HETATM   34  O11 UNL     1      -0.922   0.322   2.948  1.00  0.00           O  
HETATM   35  O12 UNL     1      -0.423   2.112   1.695  1.00  0.00           O  
HETATM   36  H1  UNL     1      -3.680   0.162   2.291  1.00  0.00           H  
HETATM   37  H2  UNL     1      -2.735   2.090   1.816  1.00  0.00           H  
HETATM   38  H3  UNL     1      -2.375   2.669   0.107  1.00  0.00           H  
HETATM   39  H4  UNL     1      -4.129   4.491   0.675  1.00  0.00           H  
HETATM   40  H5  UNL     1      -3.648   1.239  -1.461  1.00  0.00           H  
HETATM   41  H6  UNL     1      -4.995  -0.360  -1.806  1.00  0.00           H  
HETATM   42  H7  UNL     1      -2.196   0.439  -2.980  1.00  0.00           H  
HETATM   43  H8  UNL     1      -2.853  -1.124  -2.629  1.00  0.00           H  
HETATM   44  H9  UNL     1      -0.413  -0.910  -2.543  1.00  0.00           H  
HETATM   45  H10 UNL     1      -1.208  -1.853  -1.297  1.00  0.00           H  
HETATM   46  H11 UNL     1      -1.315   1.631  -1.617  1.00  0.00           H  
HETATM   47  H12 UNL     1      -0.033   2.249  -0.592  1.00  0.00           H  
HETATM   48  H13 UNL     1       0.176   2.036  -3.038  1.00  0.00           H  
HETATM   49  H14 UNL     1       1.767   1.507  -0.090  1.00  0.00           H  
HETATM   50  H15 UNL     1       2.438   0.386   1.091  1.00  0.00           H  
HETATM   51  H16 UNL     1       3.068   0.741  -1.889  1.00  0.00           H  
HETATM   52  H17 UNL     1       3.968   1.968   1.242  1.00  0.00           H  
HETATM   53  H18 UNL     1       6.561   2.095   1.631  1.00  0.00           H  
HETATM   54  H19 UNL     1       5.969  -0.544  -1.580  1.00  0.00           H  
HETATM   55  H20 UNL     1       1.516  -0.591  -2.392  1.00  0.00           H  
HETATM   56  H21 UNL     1       1.412  -2.687  -2.659  1.00  0.00           H  
HETATM   57  H22 UNL     1       1.126  -0.876   1.809  1.00  0.00           H  
HETATM   58  H23 UNL     1       1.855  -3.063   1.961  1.00  0.00           H  
HETATM   59  H24 UNL     1       1.984  -3.360   0.240  1.00  0.00           H  
HETATM   60  H25 UNL     1       3.927  -2.844   1.206  1.00  0.00           H  
HETATM   61  H26 UNL     1      -0.322  -3.163   0.476  1.00  0.00           H  
HETATM   62  H27 UNL     1      -0.138  -2.730   2.154  1.00  0.00           H  
HETATM   63  H28 UNL     1      -2.263  -1.954   0.425  1.00  0.00           H  
HETATM   64  H29 UNL     1      -2.240  -2.438   2.526  1.00  0.00           H  
HETATM   65  H30 UNL     1      -0.528   2.757   2.465  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   36
CONECT    3    4    8   32
CONECT    4    5   37   38
CONECT    5    6    6    7
CONECT    7   39
CONECT    8    9   10   40
CONECT    9   41
CONECT   10   11   42   43
CONECT   11   12   44   45
CONECT   12   13   15   32
CONECT   13   14   46   47
CONECT   14   48
CONECT   15   16   24   26
CONECT   16   17   49   50
CONECT   17   18   23   51
CONECT   18   19   22   22
CONECT   19   20   20   52
CONECT   20   21   53
CONECT   21   22
CONECT   22   54
CONECT   23   24
CONECT   24   25   55
CONECT   25   56
CONECT   26   27   29   57
CONECT   27   28   58   59
CONECT   28   60
CONECT   29   30   61   62
CONECT   30   31   32   63
CONECT   31   64
CONECT   32   33
CONECT   33   34   34   35
CONECT   35   65
END
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SMILES for HMDB0038681 (Musabalbisiane B)

OC[C@@H]1C[C@@H](O)[C@@]2(C(O)=O)[C@](CO)(CC[C@@H](O)[C@@]2(CC(O)=O)C=O)[C@@]11C[C@H](O[C@H]1O)C1=COC=C1
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INCHI for HMDB0038681 (Musabalbisiane B)

InChI=1S/C23H30O12/c24-8-13-5-16(28)23(18(31)32)20(10-25,7-17(29)30)15(27)1-3-21(23,11-26)22(13)6-14(35-19(22)33)12-2-4-34-9-12/h2,4,9-10,13-16,19,24,26-28,33H,1,3,5-8,11H2,(H,29,30)(H,31,32)/t13-,14-,15+,16+,19+,20+,21-,22-,23-/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(1R,2R,2'r,4R,4AR,5S,5's,6R,8as)-5-(carboxymethyl)-5-formyl-5'-(furan-3-yl)-2',4,6-trihydroxy-2,8a-bis(hydroxymethyl)-octahydro-2H-spiro[naphthalene-1,3'-oxolane]-4a-carboxylateHMDB
Chemical FormulaC23H30O12
Average Molecular Weight498.4771
Monoisotopic Molecular Weight498.173726424
IUPAC Name(1R,2R,2'R,4R,4aR,5S,5'S,6R,8aS)-5-(carboxymethyl)-5-formyl-5'-(furan-3-yl)-2',4,6-trihydroxy-2,8a-bis(hydroxymethyl)-octahydro-2H-spiro[naphthalene-1,3'-oxolane]-4a-carboxylic acid
Traditional Name(1R,2R,2'R,4R,4aR,5S,5'S,6R,8aS)-5-(carboxymethyl)-5-formyl-5'-(furan-3-yl)-2',4,6-trihydroxy-2,8a-bis(hydroxymethyl)-hexahydrospiro[naphthalene-1,3'-oxolane]-4a-carboxylic acid
CAS Registry Number143199-58-0
SMILES
OC[C@@H]1C[C@@H](O)[C@@]2(C(O)=O)[C@](CO)(CC[C@@H](O)[C@@]2(CC(O)=O)C=O)[C@@]11C[C@H](O[C@H]1O)C1=COC=C1
InChI Identifier
InChI=1S/C23H30O12/c24-8-13-5-16(28)23(18(31)32)20(10-25,7-17(29)30)15(27)1-3-21(23,11-26)22(13)6-14(35-19(22)33)12-2-4-34-9-12/h2,4,9-10,13-16,19,24,26-28,33H,1,3,5-8,11H2,(H,29,30)(H,31,32)/t13-,14-,15+,16+,19+,20+,21-,22-,23-/m0/s1
InChI KeyDGMXGJQMPUKDQN-VLGBJMDQSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassDiterpenoids
Direct ParentColensane and clerodane diterpenoids
Alternative Parents
Substituents
  • Clerodane diterpenoid
  • Beta-hydroxy acid
  • Dicarboxylic acid or derivatives
  • Hydroxy acid
  • Cyclic alcohol
  • Heteroaromatic compound
  • Furan
  • Tetrahydrofuran
  • Hemiacetal
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Aldehyde
  • Alcohol
  • Organic oxygen compound
  • Primary alcohol
  • Organooxygen compound
  • Carbonyl group
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point93 - 94 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility54 g/LALOGPS
logP-1.1ALOGPS
logP-2.6ChemAxon
logS-0.97ALOGPS
pKa (Strongest Acidic)3.66ChemAxon
pKa (Strongest Basic)-2.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area215.19 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity113.7 m³·mol⁻¹ChemAxon
Polarizability47.56 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+212.99631661259
DarkChem[M-H]-204.50931661259
DeepCCS[M-2H]-238.30630932474
DeepCCS[M+Na]+212.22430932474
AllCCS[M+H]+209.732859911
AllCCS[M+H-H2O]+208.032859911
AllCCS[M+NH4]+211.432859911
AllCCS[M+Na]+211.832859911
AllCCS[M-H]-213.832859911
AllCCS[M+Na-2H]-214.432859911
AllCCS[M+HCOO]-215.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Musabalbisiane BOC[C@@H]1C[C@@H](O)[C@@]2(C(O)=O)[C@](CO)(CC[C@@H](O)[C@@]2(CC(O)=O)C=O)[C@@]11C[C@H](O[C@H]1O)C1=COC=C14048.2Standard polar33892256
Musabalbisiane BOC[C@@H]1C[C@@H](O)[C@@]2(C(O)=O)[C@](CO)(CC[C@@H](O)[C@@]2(CC(O)=O)C=O)[C@@]11C[C@H](O[C@H]1O)C1=COC=C13504.7Standard non polar33892256
Musabalbisiane BOC[C@@H]1C[C@@H](O)[C@@]2(C(O)=O)[C@](CO)(CC[C@@H](O)[C@@]2(CC(O)=O)C=O)[C@@]11C[C@H](O[C@H]1O)C1=COC=C14156.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Musabalbisiane B,1TMS,isomer #1C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4001.6Semi standard non polar33892256
Musabalbisiane B,1TMS,isomer #2C[Si](C)(C)O[C@@H]1C[C@@H](CO)[C@]2(C[C@@H](C3=COC=C3)O[C@H]2O)[C@@]2(CO)CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]12C(=O)O4047.7Semi standard non polar33892256
Musabalbisiane B,1TMS,isomer #3C[Si](C)(C)OC(=O)[C@]12[C@H](O)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@@]1(CO)CC[C@@H](O)[C@]2(C=O)CC(=O)O3968.3Semi standard non polar33892256
Musabalbisiane B,1TMS,isomer #4C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4019.0Semi standard non polar33892256
Musabalbisiane B,1TMS,isomer #5C[Si](C)(C)O[C@@H]1CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O)[C@]2(C(=O)O)[C@@]1(C=O)CC(=O)O4035.5Semi standard non polar33892256
Musabalbisiane B,1TMS,isomer #6C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O)[C@]12C(=O)O4001.0Semi standard non polar33892256
Musabalbisiane B,1TMS,isomer #7C[Si](C)(C)O[C@@H]1O[C@H](C2=COC=C2)C[C@]12[C@H](CO)C[C@@H](O)[C@]1(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]21CO4079.6Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #1C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3940.0Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #10C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O[Si](C)(C)C)[C@]12C(=O)O3939.8Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #11C[Si](C)(C)OC(=O)[C@]12[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@@]1(CO)CC[C@@H](O)[C@]2(C=O)CC(=O)O3911.4Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #12C[Si](C)(C)OC(=O)[C@]12[C@H](O)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@@]1(CO)CC[C@@H](O)[C@]2(C=O)CC(=O)O3933.9Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #13C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3882.3Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #14C[Si](C)(C)OC(=O)[C@]12[C@H](O)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@@]1(CO)CC[C@@H](O[Si](C)(C)C)[C@]2(C=O)CC(=O)O3893.4Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #15C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O)[C@]12C(=O)O[Si](C)(C)C3873.7Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #16C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3941.4Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #17C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3911.0Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #18C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3986.0Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #19C[Si](C)(C)O[C@@H]1O[C@H](C2=COC=C2)C[C@]12[C@H](CO)C[C@@H](O)[C@]1(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]21CO3997.5Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #2C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3867.4Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #20C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O)[C@]12C(=O)O3927.9Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #21C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@H](CO)C[C@@H](O)[C@]12C(=O)O3959.8Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #3C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3902.1Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #4C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3934.0Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #5C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3923.0Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #6C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3976.9Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #7C[Si](C)(C)O[C@@H]1O[C@H](C2=COC=C2)C[C@]12[C@H](CO)C[C@@H](O[Si](C)(C)C)[C@]1(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]21CO4004.8Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #8C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3950.5Semi standard non polar33892256
Musabalbisiane B,2TMS,isomer #9C[Si](C)(C)O[C@@H]1CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@]1(C=O)CC(=O)O3965.6Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #1C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3834.0Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #10C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3837.7Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #11C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3817.7Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #12C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3868.5Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #13C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3863.8Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #14C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3919.0Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #15C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3895.1Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #16C[Si](C)(C)OC(=O)[C@]12[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@@]1(CO)CC[C@@H](O)[C@]2(C=O)CC(=O)O3880.8Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #17C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@H](CO)C[C@@H](O[Si](C)(C)C)[C@]12C(=O)O3883.5Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #18C[Si](C)(C)O[C@@H]1O[C@H](C2=COC=C2)C[C@]12[C@H](CO)C[C@@H](O[Si](C)(C)C)[C@]1(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]21CO3928.9Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #19C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3913.7Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #2C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3834.9Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #20C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3884.6Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #21C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3834.8Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #22C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3837.6Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #23C[Si](C)(C)OC(=O)[C@]12[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@@]1(CO)CC[C@@H](O[Si](C)(C)C)[C@]2(C=O)CC(=O)O3857.3Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #24C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O[Si](C)(C)C)[C@]12C(=O)O3851.9Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #25C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O[Si](C)(C)C)[C@]12C(=O)O[Si](C)(C)C3820.4Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #26C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3861.2Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #27C[Si](C)(C)OC(=O)[C@]12[C@H](O)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@@]1(CO)CC[C@@H](O[Si](C)(C)C)[C@]2(C=O)CC(=O)O3873.7Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #28C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@H](CO)C[C@@H](O)[C@]12C(=O)O[Si](C)(C)C3839.5Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #29C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3832.4Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #3C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3882.5Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #30C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3799.7Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #31C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O)[C@]12C(=O)O[Si](C)(C)C3815.1Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #32C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3838.1Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #33C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3916.4Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #34C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3865.6Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #35C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@H](CO)C[C@@H](O)[C@]12C(=O)O3878.2Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #4C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3860.4Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #5C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3920.2Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #6C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3794.9Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #7C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3824.9Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #8C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3809.4Semi standard non polar33892256
Musabalbisiane B,3TMS,isomer #9C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3855.7Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #1C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3770.6Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #10C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3854.4Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #11C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3774.4Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #12C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3750.6Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #13C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3786.8Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #14C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3793.6Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #15C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3828.2Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #16C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3803.4Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #17C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3786.4Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #18C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3820.9Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #19C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3796.3Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #2C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3816.5Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #20C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3852.7Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #21C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3828.5Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #22C[Si](C)(C)OC(=O)[C@]12[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@@]1(CO)CC[C@@H](O[Si](C)(C)C)[C@]2(C=O)CC(=O)O3853.9Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #23C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@H](CO)C[C@@H](O[Si](C)(C)C)[C@]12C(=O)O[Si](C)(C)C3801.8Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #24C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@H](CO)C[C@@H](O[Si](C)(C)C)[C@]12C(=O)O3830.3Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #25C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3811.8Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #26C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3874.2Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #27C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3792.5Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #28C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3813.4Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #29C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3771.4Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #3C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3788.5Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #30C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O[Si](C)(C)C)[C@]12C(=O)O[Si](C)(C)C3797.4Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #31C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3831.3Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #32C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3789.3Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #33C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@H](CO)C[C@@H](O)[C@]12C(=O)O[Si](C)(C)C3803.8Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #34C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3779.6Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #35C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3817.7Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #4C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3833.6Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #5C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3798.4Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #6C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3773.9Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #7C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3820.2Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #8C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3833.2Semi standard non polar33892256
Musabalbisiane B,4TMS,isomer #9C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3888.3Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #1C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3761.3Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #10C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3824.0Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #11C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3735.0Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #12C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3767.5Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #13C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3738.9Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #14C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3785.1Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #15C[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3769.8Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #16C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3808.0Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #17C[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3763.7Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #18C[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C)[C@H](CO)C[C@@H](O[Si](C)(C)C)[C@]12C(=O)O[Si](C)(C)C3784.5Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #19C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3784.5Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #2C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3725.4Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #20C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O3753.7Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #21C[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C)[C@](C=O)(CC(=O)O[Si](C)(C)C)[C@@]1(C(=O)O[Si](C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C3766.4Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #3C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3768.8Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #4C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3775.8Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #5C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3820.7Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #6C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O[Si](C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3787.7Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #7C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O3755.7Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #8C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3797.2Semi standard non polar33892256
Musabalbisiane B,5TMS,isomer #9C[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C)[C@H](O)CC[C@]2(CO[Si](C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C3768.0Semi standard non polar33892256
Musabalbisiane B,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4237.7Semi standard non polar33892256
Musabalbisiane B,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)[C@]2(C[C@@H](C3=COC=C3)O[C@H]2O)[C@@]2(CO)CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]12C(=O)O4252.6Semi standard non polar33892256
Musabalbisiane B,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@]12[C@H](O)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@@]1(CO)CC[C@@H](O)[C@]2(C=O)CC(=O)O4224.2Semi standard non polar33892256
Musabalbisiane B,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4209.3Semi standard non polar33892256
Musabalbisiane B,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O)[C@]2(C(=O)O)[C@@]1(C=O)CC(=O)O4247.4Semi standard non polar33892256
Musabalbisiane B,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O)[C@]12C(=O)O4272.3Semi standard non polar33892256
Musabalbisiane B,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](C2=COC=C2)C[C@]12[C@H](CO)C[C@@H](O)[C@]1(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]21CO4278.8Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4375.4Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]12C(=O)O4388.7Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@]12[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@@]1(CO)CC[C@@H](O)[C@]2(C=O)CC(=O)O4365.9Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@]12[C@H](O)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C(C)(C)C)[C@@]1(CO)CC[C@@H](O)[C@]2(C=O)CC(=O)O4378.8Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4327.6Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@]12[C@H](O)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@@]1(CO)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C=O)CC(=O)O4347.4Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O)[C@]12C(=O)O[Si](C)(C)C(C)(C)C4361.5Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4346.1Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C(C)(C)C)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4358.8Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C(C)(C)C4382.4Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](C2=COC=C2)C[C@]12[C@H](CO)C[C@@H](O)[C@]1(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]21CO4403.1Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C(C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4346.5Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O)[C@]12C(=O)O4393.3Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](CO)C[C@@H](O)[C@]12C(=O)O4408.8Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4394.6Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4380.5Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C(C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4359.9Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C(C)(C)C4419.1Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](C2=COC=C2)C[C@]12[C@H](CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]21CO4402.0Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4342.0Semi standard non polar33892256
Musabalbisiane B,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C(=O)O)[C@@]1(C=O)CC(=O)O4368.9Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C(=O)O[Si](C)(C)C(C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4488.4Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4518.8Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)CC[C@]2(CO[Si](C)(C)C(C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4500.3Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C(C)(C)C4531.2Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(CO[Si](C)(C)C(C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4506.9Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C(C)(C)C4546.6Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C(C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C(C)(C)C4531.7Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@]12[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C(C)(C)C)[C@@]1(CO)CC[C@@H](O)[C@]2(C=O)CC(=O)O4502.1Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]12C(=O)O4505.3Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](C2=COC=C2)C[C@]12[C@H](CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]21CO4517.2Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C(C)(C)C4506.1Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4493.5Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4484.5Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C(C)(C)C)[C@@]1(C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4478.4Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4470.3Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)[C@]12[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@@]1(CO)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C=O)CC(=O)O4493.4Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]12C(=O)O4497.8Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]12C(=O)O[Si](C)(C)C(C)(C)C4480.3Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C(C)(C)C4491.3Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)[C@]12[C@H](O)C[C@@H](CO)[C@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C(C)(C)C)[C@@]1(CO)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C=O)CC(=O)O4503.4Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](CO)C[C@@H](O)[C@]12C(=O)O[Si](C)(C)C(C)(C)C4488.1Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4474.8Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4509.8Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C(C)(C)C)[C@@]1(C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4469.0Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O)[C@H](CO)C[C@@H](O)[C@]12C(=O)O[Si](C)(C)C(C)(C)C4483.4Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C=O)(CC(=O)O[Si](C)(C)C(C)(C)C)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O4497.9Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C=O)(CC(=O)O)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C(C)(C)C4514.9Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC[C@]12CC[C@@H](O)[C@](C=O)(CC(=O)O[Si](C)(C)C(C)(C)C)[C@@]1(C(=O)O)[C@H](O)C[C@@H](CO)[C@]21C[C@@H](C2=COC=C2)O[C@H]1O[Si](C)(C)C(C)(C)C4510.5Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC(=O)C[C@@]1(C=O)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(CO)[C@@]3(C[C@@H](C4=COC=C4)O[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](CO)C[C@@H](O)[C@]12C(=O)O4523.4Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C(C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4493.5Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C(=O)O)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C(C)(C)C4535.8Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C(C)(C)C)[C@@](C=O)(CC(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4477.2Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C(C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4488.8Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C(C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO[Si](C)(C)C(C)(C)C)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O4473.6Semi standard non polar33892256
Musabalbisiane B,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@]2(C(=O)O[Si](C)(C)C(C)(C)C)[C@@](C=O)(CC(=O)O)[C@H](O)CC[C@]2(CO)[C@@]12C[C@@H](C1=COC=C1)O[C@H]2O[Si](C)(C)C(C)(C)C4508.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Musabalbisiane B GC-MS (Non-derivatized) - 70eV, Positivesplash10-00m1-0265900000-4143ed5f82d07a9af7422017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Musabalbisiane B GC-MS (2 TMS) - 70eV, Positivesplash10-0059-4214079000-296d5c103a5a547500172017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Musabalbisiane B GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Musabalbisiane B GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Musabalbisiane B GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Musabalbisiane B GC-MS (TMS_3_16) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Musabalbisiane B GC-MS (TMS_3_23) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Musabalbisiane B GC-MS (TMS_4_22) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Musabalbisiane B GC-MS ("Musabalbisiane B,2TMS,#11" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 10V, Positive-QTOFsplash10-03e9-0000900000-4254333cb15ba58bf7de2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 20V, Positive-QTOFsplash10-03dr-0000900000-9ed3f89d63700645c92a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 40V, Positive-QTOFsplash10-000i-8009700000-29f050ee41136abb0fdc2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 10V, Negative-QTOFsplash10-0f9b-0000900000-1e32dd5f07349dc7b9b82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 20V, Negative-QTOFsplash10-000j-1000900000-21dc5a2617c2586678b82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 40V, Negative-QTOFsplash10-0a4i-9001700000-52c5f89cf0caa3deddc02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 10V, Negative-QTOFsplash10-0002-0000900000-efc63a664d055ef9db7c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 20V, Negative-QTOFsplash10-0a4i-5000900000-f9d586e91bc075afd2a22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 40V, Negative-QTOFsplash10-0006-9001000000-271791c0960fd51f591a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 10V, Positive-QTOFsplash10-000j-0000900000-0f1dee408075f4b3f4212021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 20V, Positive-QTOFsplash10-000i-0000900000-033896771f25cb5d38d52021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Musabalbisiane B 40V, Positive-QTOFsplash10-00kp-9007200000-17e536cdb312cfd722352021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB018085
KNApSAcK IDC00057065
Chemspider ID30777284
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752423
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.