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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 21:55:04 UTC

Update Date

2022-03-07 02:55:02 UTC

HMDB ID

HMDB0036746

Secondary Accession Numbers

HMDB36746

Metabolite Identification

Common Name

Matsutakeside I

Description

Matsutakeside I belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. Matsutakeside I has been detected, but not quantified in, a few different foods, such as common mushrooms (Agaricus bisporus), mushrooms, and oyster mushrooms (Pleurotus ostreatus). This could make matsutakeside I a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Matsutakeside I.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02241210092D          

 44 49  0  0  0  0            999 V2000
    0.8690    2.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911    3.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1341    3.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5026    2.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2918    2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3977    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6593    1.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0804    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5569   -1.9745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2433   -1.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6434   -1.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4465   -1.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8466   -0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4465    0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8466    0.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2433    0.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6434    0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2433   -0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5569   -0.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7129   -0.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6607    0.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4482    1.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0261    2.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482    3.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080   -2.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2330   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6469   -3.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330   -2.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6469   -4.5638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9955   -4.5638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1705   -3.1338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 36 41  1  0  0  0  0
 37 38  1  0  0  0  0
 37 44  1  0  0  0  0
 38 39  1  0  0  0  0
 38 43  1  0  0  0  0
 39 40  1  0  0  0  0
 39 42  1  0  0  0  0
 40 41  1  0  0  0  0
M  END

HMDB0036746
     RDKit          3D
Matsutakeside I
 80 85  0  0  0  0  0  0  0  0999 V2000
   -2.3471   -3.0449    0.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4057   -2.1865    0.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2366   -0.9281   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0167   -0.3852   -0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8508    0.8657   -1.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5497    1.4472   -1.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865    2.2642   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3816    1.5549    0.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2488    0.5054    0.7248 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567   -0.1615    1.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8696    0.0016    2.2272 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7950   -0.6641    1.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6483    0.0192   -0.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6742   -0.6675    0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9931    0.1066    0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0892   -1.5730    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1084   -1.5872    1.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 17 18  1  0
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 22 23  1  0
 12 24  1  0
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  5 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
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 38 40  1  0
 40 41  1  0
 41 42  1  0
 33 43  1  0
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 44  3  1  0
 28 10  1  0
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 22 15  1  0
 39 34  1  0
 42 37  1  0
  1 45  1  0
  1 46  1  0
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  4 48  1  0
  6 49  1  0
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 27 71  1  0
 28 72  1  0
 29 73  1  0
 30 74  1  0
 32 75  1  0
 35 76  1  0
 36 77  1  0
 39 78  1  0
 41 79  1  0
 41 80  1  0
M  END


  Mrv0541 02241210092D          

 44 49  0  0  0  0            999 V2000
    0.8690    2.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911    3.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1341    3.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5026    2.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2918    2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3977    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6593    1.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0804    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5569   -1.9745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6469   -3.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330   -2.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0036746

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H36O14/c1-37-21-8-14(7-16-10-19(43-28(16)21)15-4-5-18-20(9-15)42-13-41-18)3-2-6-38-30-27(36)25(34)24(33)22(44-30)12-40-29-26(35)23(32)17(31)11-39-29/h4-5,7-10,17,22-27,29-36H,2-3,6,11-13H2,1H3

> <INCHI_KEY>
JKLGFSBPEZTFTQ-UHFFFAOYSA-N

> <FORMULA>
C30H36O14

> <MOLECULAR_WEIGHT>
620.5984

> <EXACT_MASS>
620.21050586

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
64.70444817291292

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

> <ALOGPS_LOGP>
0.70

> <JCHEM_LOGP>
0.21970165766666697

> <ALOGPS_LOGS>
-2.90

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.462148732885368

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.92830732532721

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526580404084756

> <JCHEM_POLAR_SURFACE_AREA>
199.13

> <JCHEM_REFRACTIVITY>
147.17890000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.86e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0036746
     RDKit          3D
Matsutakeside I
 80 85  0  0  0  0  0  0  0  0999 V2000
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M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       1.622   4.584   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.410   5.960   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.984   5.960   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.672   4.584   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.145   4.291   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.342   2.813   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.964   2.128   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.883   3.306   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.410   3.306   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.040  -3.686   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.454  -3.686   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.201  -2.338   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.700  -2.338   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -3.447  -1.140   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.700   0.200   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -3.447   1.548   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -0.454   1.548   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.201   0.200   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.454  -1.140   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.040  -1.140   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.064  -0.821   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -4.967   0.752   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.342   1.537   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.342   3.111   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.967   3.799   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -3.588   3.111   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.967   5.372   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.588   6.158   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -3.686   7.731   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -4.967   8.519   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.310   5.372   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.310   3.799   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.837   3.406   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.049   4.584   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -0.837   5.862   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       2.628  -4.512   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.858  -5.850   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.628  -7.187   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.168  -7.187   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.941  -5.850   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       4.168  -4.512   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       4.941  -8.519   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       1.858  -8.519   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       0.318  -5.850   0.000  0.00  0.00           O+0
CONECT    1    2    9   34                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    4    7    9                                                  
CONECT    9    1    8                                                       
CONECT   10   11   36                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16   18                                                  
CONECT   16   15                                                            
CONECT   17   18                                                            
CONECT   18   15   17   19                                                  
CONECT   19   12   18   20                                                  
CONECT   20   19                                                            
CONECT   21   14   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25   32                                                       
CONECT   27   25   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   35                                                  
CONECT   32   26   31   33                                                  
CONECT   33   32   34                                                       
CONECT   34    1   33   35                                                  
CONECT   35   31   34                                                       
CONECT   36   10   37   41                                                  
CONECT   37   36   38   44                                                  
CONECT   38   37   39   43                                                  
CONECT   39   38   40   42                                                  
CONECT   40   39   41                                                       
CONECT   41   36   40                                                       
CONECT   42   39                                                            
CONECT   43   38                                                            
CONECT   44   37                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   98    0
END

COMPND    HMDB0036746
HETATM    1  C1  UNL     1      -2.347  -3.045   0.602  1.00  0.00           C  
HETATM    2  O1  UNL     1      -3.406  -2.187   0.306  1.00  0.00           O  
HETATM    3  C2  UNL     1      -3.237  -0.928  -0.246  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.017  -0.385  -0.562  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.851   0.866  -1.111  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.550   1.447  -1.444  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.087   2.264  -0.374  1.00  0.00           C  
HETATM    8  C7  UNL     1       0.382   1.555   0.904  1.00  0.00           C  
HETATM    9  O2  UNL     1       1.249   0.505   0.725  1.00  0.00           O  
HETATM   10  C8  UNL     1       1.557  -0.162   1.897  1.00  0.00           C  
HETATM   11  O3  UNL     1       2.870   0.002   2.227  1.00  0.00           O  
HETATM   12  C9  UNL     1       3.795  -0.664   1.419  1.00  0.00           C  
HETATM   13  C10 UNL     1       4.614   0.403   0.761  1.00  0.00           C  
HETATM   14  O4  UNL     1       5.648   0.019  -0.028  1.00  0.00           O  
HETATM   15  C11 UNL     1       6.674  -0.667   0.561  1.00  0.00           C  
HETATM   16  O5  UNL     1       6.936  -1.873  -0.062  1.00  0.00           O  
HETATM   17  C12 UNL     1       7.048  -1.780  -1.431  1.00  0.00           C  
HETATM   18  C13 UNL     1       7.645  -0.503  -1.924  1.00  0.00           C  
HETATM   19  O6  UNL     1       6.635   0.295  -2.463  1.00  0.00           O  
HETATM   20  C14 UNL     1       8.479   0.223  -0.922  1.00  0.00           C  
HETATM   21  O7  UNL     1       8.448   1.590  -1.280  1.00  0.00           O  
HETATM   22  C15 UNL     1       7.993   0.107   0.484  1.00  0.00           C  
HETATM   23  O8  UNL     1       7.920   1.310   1.146  1.00  0.00           O  
HETATM   24  C16 UNL     1       3.089  -1.573   0.436  1.00  0.00           C  
HETATM   25  O9  UNL     1       3.982  -2.450  -0.124  1.00  0.00           O  
HETATM   26  C17 UNL     1       2.125  -2.445   1.256  1.00  0.00           C  
HETATM   27  O10 UNL     1       2.837  -3.157   2.220  1.00  0.00           O  
HETATM   28  C18 UNL     1       1.108  -1.587   1.952  1.00  0.00           C  
HETATM   29  O11 UNL     1       0.974  -1.927   3.303  1.00  0.00           O  
HETATM   30  C19 UNL     1      -2.995   1.601  -1.349  1.00  0.00           C  
HETATM   31  C20 UNL     1      -4.237   1.093  -1.046  1.00  0.00           C  
HETATM   32  C21 UNL     1      -5.524   1.578  -1.167  1.00  0.00           C  
HETATM   33  C22 UNL     1      -6.369   0.600  -0.689  1.00  0.00           C  
HETATM   34  C23 UNL     1      -7.831   0.717  -0.640  1.00  0.00           C  
HETATM   35  C24 UNL     1      -8.591  -0.328  -0.141  1.00  0.00           C  
HETATM   36  C25 UNL     1      -9.964  -0.211  -0.096  1.00  0.00           C  
HETATM   37  C26 UNL     1     -10.598   0.936  -0.541  1.00  0.00           C  
HETATM   38  C27 UNL     1      -9.842   1.976  -1.037  1.00  0.00           C  
HETATM   39  C28 UNL     1      -8.469   1.850  -1.079  1.00  0.00           C  
HETATM   40  O12 UNL     1     -10.716   2.993  -1.410  1.00  0.00           O  
HETATM   41  C29 UNL     1     -11.982   2.657  -0.856  1.00  0.00           C  
HETATM   42  O13 UNL     1     -11.934   1.271  -0.592  1.00  0.00           O  
HETATM   43  O14 UNL     1      -5.637  -0.402  -0.308  1.00  0.00           O  
HETATM   44  C30 UNL     1      -4.366  -0.160  -0.499  1.00  0.00           C  
HETATM   45  H1  UNL     1      -1.988  -2.819   1.646  1.00  0.00           H  
HETATM   46  H2  UNL     1      -1.512  -2.921  -0.105  1.00  0.00           H  
HETATM   47  H3  UNL     1      -2.702  -4.099   0.547  1.00  0.00           H  
HETATM   48  H4  UNL     1      -1.114  -0.952  -0.384  1.00  0.00           H  
HETATM   49  H5  UNL     1       0.163   0.683  -1.818  1.00  0.00           H  
HETATM   50  H6  UNL     1      -0.703   2.142  -2.320  1.00  0.00           H  
HETATM   51  H7  UNL     1       1.059   2.646  -0.805  1.00  0.00           H  
HETATM   52  H8  UNL     1      -0.522   3.185  -0.234  1.00  0.00           H  
HETATM   53  H9  UNL     1       0.924   2.302   1.555  1.00  0.00           H  
HETATM   54  H10 UNL     1      -0.525   1.288   1.481  1.00  0.00           H  
HETATM   55  H11 UNL     1       0.969   0.368   2.713  1.00  0.00           H  
HETATM   56  H12 UNL     1       4.468  -1.292   2.032  1.00  0.00           H  
HETATM   57  H13 UNL     1       3.904   0.984   0.097  1.00  0.00           H  
HETATM   58  H14 UNL     1       4.889   1.122   1.565  1.00  0.00           H  
HETATM   59  H15 UNL     1       6.426  -0.820   1.621  1.00  0.00           H  
HETATM   60  H16 UNL     1       7.667  -2.665  -1.765  1.00  0.00           H  
HETATM   61  H17 UNL     1       6.049  -1.963  -1.923  1.00  0.00           H  
HETATM   62  H18 UNL     1       8.310  -0.764  -2.795  1.00  0.00           H  
HETATM   63  H19 UNL     1       6.835   1.255  -2.313  1.00  0.00           H  
HETATM   64  H20 UNL     1       9.548  -0.105  -1.031  1.00  0.00           H  
HETATM   65  H21 UNL     1       9.371   1.974  -1.226  1.00  0.00           H  
HETATM   66  H22 UNL     1       8.734  -0.529   1.044  1.00  0.00           H  
HETATM   67  H23 UNL     1       8.531   1.988   0.814  1.00  0.00           H  
HETATM   68  H24 UNL     1       2.563  -1.052  -0.364  1.00  0.00           H  
HETATM   69  H25 UNL     1       3.788  -2.693  -1.069  1.00  0.00           H  
HETATM   70  H26 UNL     1       1.692  -3.161   0.552  1.00  0.00           H  
HETATM   71  H27 UNL     1       3.426  -3.842   1.798  1.00  0.00           H  
HETATM   72  H28 UNL     1       0.131  -1.718   1.496  1.00  0.00           H  
HETATM   73  H29 UNL     1       0.103  -1.578   3.599  1.00  0.00           H  
HETATM   74  H30 UNL     1      -2.951   2.601  -1.782  1.00  0.00           H  
HETATM   75  H31 UNL     1      -5.786   2.564  -1.573  1.00  0.00           H  
HETATM   76  H32 UNL     1      -8.091  -1.222   0.205  1.00  0.00           H  
HETATM   77  H33 UNL     1     -10.511  -1.043   0.297  1.00  0.00           H  
HETATM   78  H34 UNL     1      -7.884   2.673  -1.470  1.00  0.00           H  
HETATM   79  H35 UNL     1     -12.106   3.178   0.113  1.00  0.00           H  
HETATM   80  H36 UNL     1     -12.787   2.859  -1.573  1.00  0.00           H  
CONECT    1    2   45   46   47
CONECT    2    3
CONECT    3    4    4   44
CONECT    4    5   48
CONECT    5    6   30   30
CONECT    6    7   49   50
CONECT    7    8   51   52
CONECT    8    9   53   54
CONECT    9   10
CONECT   10   11   28   55
CONECT   11   12
CONECT   12   13   24   56
CONECT   13   14   57   58
CONECT   14   15
CONECT   15   16   22   59
CONECT   16   17
CONECT   17   18   60   61
CONECT   18   19   20   62
CONECT   19   63
CONECT   20   21   22   64
CONECT   21   65
CONECT   22   23   66
CONECT   23   67
CONECT   24   25   26   68
CONECT   25   69
CONECT   26   27   28   70
CONECT   27   71
CONECT   28   29   72
CONECT   29   73
CONECT   30   31   74
CONECT   31   32   44   44
CONECT   32   33   33   75
CONECT   33   34   43
CONECT   34   35   35   39
CONECT   35   36   76
CONECT   36   37   37   77
CONECT   37   38   42
CONECT   38   39   39   40
CONECT   39   78
CONECT   40   41
CONECT   41   42   79   80
CONECT   43   44
END

HMDB0036746
     RDKit          3D
Matsutakeside I
 80 85  0  0  0  0  0  0  0  0999 V2000
   -2.3471   -3.0449    0.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4057   -2.1865    0.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2366   -0.9281   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0167   -0.3852   -0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8508    0.8657   -1.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5497    1.4472   -1.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865    2.2642   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3816    1.5549    0.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2488    0.5054    0.7248 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567   -0.1615    1.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8696    0.0016    2.2272 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7950   -0.6641    1.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6142    0.4034    0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6483    0.0192   -0.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6742   -0.6675    0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9355   -1.8731   -0.0623 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479   -1.7805   -1.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6449   -0.5030   -1.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6352    0.2949   -2.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4793    0.2232   -0.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4480    1.5904   -1.2799 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9931    0.1066    0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9198    1.3095    1.1458 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892   -1.5730    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9819   -2.4503   -0.1236 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1254   -2.4453    1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365   -3.1572    2.2199 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1084   -1.5872    1.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9739   -1.9274    3.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9950    1.6013   -1.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2369    1.0929   -1.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5238    1.5776   -1.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3695    0.6001   -0.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8309    0.7170   -0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5915   -0.3280   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9642   -0.2107   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5978    0.9359   -0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8423    1.9765   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4689    1.8498   -1.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7158    2.9927   -1.4102 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9816    2.6570   -0.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9344    1.2705   -0.5918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6368   -0.4019   -0.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3660   -0.1598   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882   -2.8191    1.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120   -2.9212   -0.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7020   -4.0990    0.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140   -0.9523   -0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    0.6831   -1.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7029    2.1422   -2.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590    2.6465   -0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5218    3.1845   -0.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9244    2.3022    1.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5248    1.2883    1.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9689    0.3680    2.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682   -1.2920    2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9036    0.9841    0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    1.1222    1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4255   -0.8198    1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6668   -2.6647   -1.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0492   -1.9631   -1.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3096   -0.7637   -2.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8348    1.2553   -2.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5480   -0.1052   -1.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3711    1.9745   -1.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7343   -0.5288    1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5310    1.9884    0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5633   -1.0516   -0.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -2.6928   -1.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6915   -3.1608    0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4262   -3.8420    1.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1314   -1.7180    1.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -1.5781    3.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9506    2.6011   -1.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7860    2.5643   -1.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0909   -1.2220    0.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5113   -1.0432    0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8840    2.6733   -1.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1063    3.1776    0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7871    2.8595   -1.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 22 15  1  0
 39 34  1  0
 42 37  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  4 48  1  0
  6 49  1  0
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M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Egonol primeveroside	HMDB

Chemical Formula

C₃₀H₃₆O₁₄

Average Molecular Weight

620.5984

Monoisotopic Molecular Weight

620.21050586

IUPAC Name

2-{3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Traditional Name

2-{3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1

InChI Identifier

InChI=1S/C30H36O14/c1-37-21-8-14(7-16-10-19(43-28(16)21)15-4-5-18-20(9-15)42-13-41-18)3-2-6-38-30-27(36)25(34)24(33)22(44-30)12-40-29-26(35)23(32)17(31)11-39-29/h4-5,7-10,17,22-27,29-36H,2-3,6,11-13H2,1H3

InChI Key

JKLGFSBPEZTFTQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
Lignan glycoside
Neolignan skeleton
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Disaccharide
Glycosyl compound
O-glycosyl compound
Benzodioxole
Benzofuran
Anisole
Alkyl aryl ether
Oxane
Fatty acyl
Benzenoid
Furan
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Polyol
Ether
Oxacycle
Acetal
Alcohol
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0036746)
Cytoplasm (HMDB: HMDB0036746)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0036746)

Source

Exogenous

Food

Food (HMDB: HMDB0036746)

Plant (HMDB: HMDB0036746)

Not Available

Nutrient (HMDB: HMDB0036746)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.79 g/L	ALOGPS
logP	0.7	ALOGPS
logP	0.22	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	11.93	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	199.13 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	147.18 m³·mol⁻¹	ChemAxon
Polarizability	64.7 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	242.784	31661259
DarkChem	[M-H]-	231.535	31661259
DeepCCS	[M+H]+	231.955	30932474
DeepCCS	[M-H]-	229.559	30932474
DeepCCS	[M-2H]-	262.676	30932474
DeepCCS	[M+Na]+	238.675	30932474
AllCCS	[M+H]+	238.2	32859911
AllCCS	[M+H-H2O]+	237.1	32859911
AllCCS	[M+NH4]+	239.1	32859911
AllCCS	[M+Na]+	239.4	32859911
AllCCS	[M-H]-	228.9	32859911
AllCCS	[M+Na-2H]-	231.8	32859911
AllCCS	[M+HCOO]-	235.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Matsutakeside I	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1	4835.8	Standard polar	33892256
Matsutakeside I	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1	5004.5	Standard non polar	33892256
Matsutakeside I	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1	5551.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Matsutakeside I,1TMS,isomer #1	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5288.5	Semi standard non polar	33892256
Matsutakeside I,1TMS,isomer #2	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5252.5	Semi standard non polar	33892256
Matsutakeside I,1TMS,isomer #3	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5245.8	Semi standard non polar	33892256
Matsutakeside I,1TMS,isomer #4	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5285.0	Semi standard non polar	33892256
Matsutakeside I,1TMS,isomer #5	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5274.4	Semi standard non polar	33892256
Matsutakeside I,1TMS,isomer #6	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5264.1	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #1	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5180.0	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #10	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5175.2	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #11	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5133.6	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #12	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5152.1	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #13	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5194.3	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #14	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5218.0	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #15	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5193.3	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #2	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5189.6	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #3	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5219.7	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #4	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5187.7	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #5	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5187.9	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #6	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5159.9	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #7	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5163.4	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #8	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5135.8	Semi standard non polar	33892256
Matsutakeside I,2TMS,isomer #9	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5130.5	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #1	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5123.1	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #10	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5080.7	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #11	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5061.7	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #12	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5008.9	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #13	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5047.6	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #14	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5021.3	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #15	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5052.1	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #16	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5029.4	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #17	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5052.2	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #18	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5086.2	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #19	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5059.8	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #2	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5069.4	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #20	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5148.4	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #3	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5020.7	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #4	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5056.3	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #5	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5088.1	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #6	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5030.8	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #7	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5074.8	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #8	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5073.8	Semi standard non polar	33892256
Matsutakeside I,3TMS,isomer #9	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5115.1	Semi standard non polar	33892256
Matsutakeside I,1TBDMS,isomer #1	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5532.1	Semi standard non polar	33892256
Matsutakeside I,1TBDMS,isomer #2	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5500.8	Semi standard non polar	33892256
Matsutakeside I,1TBDMS,isomer #3	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5496.6	Semi standard non polar	33892256
Matsutakeside I,1TBDMS,isomer #4	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5533.4	Semi standard non polar	33892256
Matsutakeside I,1TBDMS,isomer #5	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5519.6	Semi standard non polar	33892256
Matsutakeside I,1TBDMS,isomer #6	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5515.5	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #1	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5645.6	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #10	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5631.4	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #11	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5607.6	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #12	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5601.6	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #13	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5678.4	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #14	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5693.5	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #15	COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5677.4	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #2	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5659.1	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #3	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5673.1	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #4	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5646.8	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #5	COC1=CC(CCCOC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5647.2	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #6	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5636.4	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #7	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5636.3	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #8	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5602.3	Semi standard non polar	33892256
Matsutakeside I,2TBDMS,isomer #9	COC1=CC(CCCOC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1OC(C1=CC=C3OCOC3=C1)=C2	5606.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (Non-derivatized) - 70eV, Positive	splash10-0zg1-3490255000-b4b462db96ff99ad4970	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (1 TMS) - 70eV, Positive	splash10-05y0-4364229000-72241f9a732335066ad5	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_3_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_3_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Matsutakeside I GC-MS (TMS_3_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 10V, Positive-QTOF	splash10-0uk9-0113219000-802368fd786eba50e2d4	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 20V, Positive-QTOF	splash10-0a6r-0219300000-a777ba95557b0421f1af	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 40V, Positive-QTOF	splash10-0aba-4916331000-ea7ce7c9faa35311fe5f	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 10V, Negative-QTOF	splash10-014i-3534119000-c16b50303525da010d9e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 20V, Negative-QTOF	splash10-001m-2933003000-b130d80ef6c5a93ceb9e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 40V, Negative-QTOF	splash10-052f-9312000000-d3586ff292bae3d6fea2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 10V, Negative-QTOF	splash10-014i-0000029000-5a9c94c361d05d63e6c4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 20V, Negative-QTOF	splash10-004i-3503592000-8b2f87f0d54c3e7051e5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 40V, Negative-QTOF	splash10-052f-9533422000-aaef1fd1ba11d020d87d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 10V, Positive-QTOF	splash10-00b9-0209204000-19829b651341cb7c590d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 20V, Positive-QTOF	splash10-0axr-1639522000-099c2bc982d8f4bc41ce	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Matsutakeside I 40V, Positive-QTOF	splash10-0bt9-1069010000-b9202793eaf9771bc388	2021-09-23	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB015684

KNApSAcK ID

Not Available

Chemspider ID

313814

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

353479

PDB ID

Not Available

ChEBI ID

169331

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Matsutakeside I (HMDB0036746)

MOL for HMDB0036746 (Matsutakeside I)

3D MOL for HMDB0036746 (Matsutakeside I)

3D SDF for HMDB0036746 (Matsutakeside I)

3D-SDF for HMDB0036746 (Matsutakeside I)

PDB for HMDB0036746 (Matsutakeside I)

3D PDB for HMDB0036746 (Matsutakeside I)

SMILES for HMDB0036746 (Matsutakeside I)

INCHI for HMDB0036746 (Matsutakeside I)

Structure for HMDB0036746 (Matsutakeside I)

3D Structure for HMDB0036746 (Matsutakeside I)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra