Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:47:33 UTC

Update Date

2022-03-07 02:55:47 UTC

HMDB ID

HMDB0038472

Secondary Accession Numbers

HMDB38472

Metabolite Identification

Common Name

Luteolin 7-sulfate

Description

Luteolin 7-sulfate belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Based on a literature review very few articles have been published on Luteolin 7-sulfate.

Structure

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

HMDB0038472
     RDKit          3D
Luteolin 7-sulfate
 35 37  0  0  0  0  0  0  0  0999 V2000
   -0.7752   -3.3660   -1.8183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5353   -2.3149   -1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857   -1.8913   -1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434   -0.7327   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353   -0.3047   -0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5047   -0.9869   -0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251   -0.5785   -0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0409    0.5951    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3732    0.9717    0.3129 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9866    1.3113    0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380    2.5045    1.3772 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6861    0.8720    0.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0807    0.0011    0.1494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1734   -0.3726    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1800    0.4222    0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5102    0.1027    0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5223    0.8863    0.9892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2711    2.1405    0.1173 S   0  0  0  0  0  6  0  0  0  0  0  0
   -5.9668    1.6527   -1.1069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2827    2.7771    1.0396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0976    3.2972   -0.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8566   -1.0360   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8738   -1.8691   -0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2676   -2.9937   -1.4279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5367   -1.5277   -0.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5225   -2.5475   -1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3620   -1.9248   -1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6279   -1.1817   -0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6806    1.7891    0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1509    2.8448    1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713    1.4590    0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8824    1.3272    1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8031    3.7059    0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8953   -1.3535   -0.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7849   -3.6787   -1.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  2  0
 18 21  1  0
 16 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25  2  1  0
 12  5  1  0
 25 14  1  0
  3 26  1  0
  6 27  1  0
  7 28  1  0
  9 29  1  0
 11 30  1  0
 12 31  1  0
 15 32  1  0
 21 33  1  0
 22 34  1  0
 24 35  1  0
M  END


  Mrv0541 05061310292D          

 25 27  0  0  0  0            999 V2000
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 23 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24  8  1  0  0  0  0
 25 20  1  0  0  0  0
 25 21  2  0  0  0  0
 25 22  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038472

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C15H10O9S/c16-9-2-1-7(3-10(9)17)13-6-12(19)15-11(18)4-8(5-14(15)23-13)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)

> <INCHI_KEY>
NTLSJCCPWSJISD-UHFFFAOYSA-N

> <FORMULA>
C15H10O9S

> <MOLECULAR_WEIGHT>
366.3

> <EXACT_MASS>
366.004552608

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
33.03554733419335

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxidanesulfonic acid

> <ALOGPS_LOGP>
0.78

> <JCHEM_LOGP>
1.9278104656666666

> <ALOGPS_LOGS>
-2.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.00055879812965

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.570226786033518

> <JCHEM_PKA_STRONGEST_BASIC>
-5.386179653652831

> <JCHEM_POLAR_SURFACE_AREA>
150.58999999999997

> <JCHEM_REFRACTIVITY>
84.8866

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.78e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
luteolin 7-sulfate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038472
     RDKit          3D
Luteolin 7-sulfate
 35 37  0  0  0  0  0  0  0  0999 V2000
   -0.7752   -3.3660   -1.8183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5353   -2.3149   -1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857   -1.8913   -1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434   -0.7327   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353   -0.3047   -0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5047   -0.9869   -0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251   -0.5785   -0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0409    0.5951    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3732    0.9717    0.3129 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9866    1.3113    0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380    2.5045    1.3772 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6861    0.8720    0.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0807    0.0011    0.1494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1734   -0.3726    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1800    0.4222    0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5102    0.1027    0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5223    0.8863    0.9892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2711    2.1405    0.1173 S   0  0  0  0  0  6  0  0  0  0  0  0
   -5.9668    1.6527   -1.1069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2827    2.7771    1.0396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0976    3.2972   -0.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8566   -1.0360   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8738   -1.8691   -0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2676   -2.9937   -1.4279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5367   -1.5277   -0.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5225   -2.5475   -1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3620   -1.9248   -1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6279   -1.1817   -0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6806    1.7891    0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1509    2.8448    1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713    1.4590    0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8824    1.3272    1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8031    3.7059    0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8953   -1.3535   -0.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7849   -3.6787   -1.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  2  0
 18 21  1  0
 16 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25  2  1  0
 12  5  1  0
 25 14  1  0
  3 26  1  0
  6 27  1  0
  7 28  1  0
  9 29  1  0
 11 30  1  0
 12 31  1  0
 15 32  1  0
 21 33  1  0
 22 34  1  0
 24 35  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      13.337   0.000   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.334  -3.850   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -0.206  -2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.874  -2.310   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   25  S   UNK     0       1.334  -2.310   0.000  0.00  0.00           S+0
CONECT    1    2    7                                                       
CONECT    2    1    9                                                       
CONECT    3    7   10                                                       
CONECT    4    8   11                                                       
CONECT    5    8   14                                                       
CONECT    6   12   13                                                       
CONECT    7    1    3   13                                                  
CONECT    8    4    5   24                                                  
CONECT    9    2   10   16                                                  
CONECT   10    3    9   17                                                  
CONECT   11    4   15   18                                                  
CONECT   12    6   15   19                                                  
CONECT   13    6    7   23                                                  
CONECT   14    5   15   23                                                  
CONECT   15   11   12   14                                                  
CONECT   16    9                                                            
CONECT   17   10                                                            
CONECT   18   11                                                            
CONECT   19   12                                                            
CONECT   20   25                                                            
CONECT   21   25                                                            
CONECT   22   25                                                            
CONECT   23   13   14                                                       
CONECT   24    8   25                                                       
CONECT   25   20   21   22   24                                             
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

COMPND    HMDB0038472
HETATM    1  O1  UNL     1      -0.775  -3.366  -1.818  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.535  -2.315  -1.202  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.786  -1.891  -1.036  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.043  -0.733  -0.356  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.435  -0.305  -0.192  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.505  -0.987  -0.673  1.00  0.00           C  
HETATM    7  C6  UNL     1       4.825  -0.579  -0.516  1.00  0.00           C  
HETATM    8  C7  UNL     1       5.041   0.595   0.175  1.00  0.00           C  
HETATM    9  O2  UNL     1       6.373   0.972   0.313  1.00  0.00           O  
HETATM   10  C8  UNL     1       3.987   1.311   0.676  1.00  0.00           C  
HETATM   11  O3  UNL     1       4.238   2.504   1.377  1.00  0.00           O  
HETATM   12  C9  UNL     1       2.686   0.872   0.499  1.00  0.00           C  
HETATM   13  O4  UNL     1       0.081   0.001   0.149  1.00  0.00           O  
HETATM   14  C10 UNL     1      -1.173  -0.373   0.008  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.180   0.422   0.554  1.00  0.00           C  
HETATM   16  C12 UNL     1      -3.510   0.103   0.450  1.00  0.00           C  
HETATM   17  O5  UNL     1      -4.522   0.886   0.989  1.00  0.00           O  
HETATM   18  S1  UNL     1      -5.271   2.140   0.117  1.00  0.00           S  
HETATM   19  O6  UNL     1      -5.967   1.653  -1.107  1.00  0.00           O  
HETATM   20  O7  UNL     1      -6.283   2.777   1.040  1.00  0.00           O  
HETATM   21  O8  UNL     1      -4.098   3.297  -0.274  1.00  0.00           O  
HETATM   22  C13 UNL     1      -3.857  -1.036  -0.211  1.00  0.00           C  
HETATM   23  C14 UNL     1      -2.874  -1.869  -0.778  1.00  0.00           C  
HETATM   24  O9  UNL     1      -3.268  -2.994  -1.428  1.00  0.00           O  
HETATM   25  C15 UNL     1      -1.537  -1.528  -0.662  1.00  0.00           C  
HETATM   26  H1  UNL     1       1.523  -2.548  -1.480  1.00  0.00           H  
HETATM   27  H2  UNL     1       3.362  -1.925  -1.228  1.00  0.00           H  
HETATM   28  H3  UNL     1       5.628  -1.182  -0.932  1.00  0.00           H  
HETATM   29  H4  UNL     1       6.681   1.789   0.784  1.00  0.00           H  
HETATM   30  H5  UNL     1       5.151   2.845   1.521  1.00  0.00           H  
HETATM   31  H6  UNL     1       1.871   1.459   0.907  1.00  0.00           H  
HETATM   32  H7  UNL     1      -1.882   1.327   1.078  1.00  0.00           H  
HETATM   33  H8  UNL     1      -3.803   3.706   0.584  1.00  0.00           H  
HETATM   34  H9  UNL     1      -4.895  -1.353  -0.333  1.00  0.00           H  
HETATM   35  H10 UNL     1      -2.785  -3.679  -1.872  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   25
CONECT    3    4    4   26
CONECT    4    5   13
CONECT    5    6    6   12
CONECT    6    7   27
CONECT    7    8    8   28
CONECT    8    9   10
CONECT    9   29
CONECT   10   11   12   12
CONECT   11   30
CONECT   12   31
CONECT   13   14
CONECT   14   15   15   25
CONECT   15   16   32
CONECT   16   17   22   22
CONECT   17   18
CONECT   18   19   19   20   20
CONECT   18   21
CONECT   21   33
CONECT   22   23   34
CONECT   23   24   25   25
CONECT   24   35
END

HMDB0038472
     RDKit          3D
Luteolin 7-sulfate
 35 37  0  0  0  0  0  0  0  0999 V2000
   -0.7752   -3.3660   -1.8183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5353   -2.3149   -1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857   -1.8913   -1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434   -0.7327   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353   -0.3047   -0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5047   -0.9869   -0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251   -0.5785   -0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0409    0.5951    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3732    0.9717    0.3129 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9866    1.3113    0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380    2.5045    1.3772 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6861    0.8720    0.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0807    0.0011    0.1494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1734   -0.3726    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1800    0.4222    0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5102    0.1027    0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5223    0.8863    0.9892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2711    2.1405    0.1173 S   0  0  0  0  0  6  0  0  0  0  0  0
   -5.9668    1.6527   -1.1069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2827    2.7771    1.0396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0976    3.2972   -0.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8566   -1.0360   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8738   -1.8691   -0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2676   -2.9937   -1.4279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5367   -1.5277   -0.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5225   -2.5475   -1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3620   -1.9248   -1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6279   -1.1817   -0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6806    1.7891    0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1509    2.8448    1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713    1.4590    0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8824    1.3272    1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8031    3.7059    0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8953   -1.3535   -0.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7849   -3.6787   -1.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  2  0
 18 21  1  0
 16 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25  2  1  0
 12  5  1  0
 25 14  1  0
  3 26  1  0
  6 27  1  0
  7 28  1  0
  9 29  1  0
 11 30  1  0
 12 31  1  0
 15 32  1  0
 21 33  1  0
 22 34  1  0
 24 35  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Luteolin 7-sulfuric acid	Generator
Luteolin 7-sulphate	Generator
Luteolin 7-sulphuric acid	Generator

Chemical Formula

C₁₅H₁₀O₉S

Average Molecular Weight

366.3

Monoisotopic Molecular Weight

366.004552608

IUPAC Name

[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxidanesulfonic acid

Traditional Name

luteolin 7-sulfate

CAS Registry Number

56857-57-9

SMILES

OC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1

InChI Identifier

InChI=1S/C15H10O9S/c16-9-2-1-7(3-10(9)17)13-6-12(19)15-11(18)4-8(5-14(15)23-13)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)

InChI Key

NTLSJCCPWSJISD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavones

Alternative Parents

Substituents

3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Chromone
Arylsulfate
Benzopyran
1-benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Monocyclic benzene moiety
Benzenoid
Sulfuric acid ester
Sulfate-ester
Pyran
Sulfuric acid monoester
Vinylogous acid
Organic sulfuric acid or derivatives
Heteroaromatic compound
Organoheterocyclic compound
Oxacycle
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavones and Flavonols (LMPK12110734 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038472)
Cytoplasm (HMDB: HMDB0038472)

Source

Endogenous

Endogenous (HMDB: HMDB0038472)

Plant

Plant (HMDB: HMDB0038472)

Exogenous

Food

Food (HMDB: HMDB0038472)

Not Available

Nutrient (HMDB: HMDB0038472)

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	0.38 g/L	ALOGPS
logP	0.78	ALOGPS
logP	1.93	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	-2.6	ChemAxon
pKa (Strongest Basic)	-5.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	150.59 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	84.89 m³·mol⁻¹	ChemAxon
Polarizability	33.04 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	174.569	30932474
DeepCCS	[M-H]-	172.211	30932474
DeepCCS	[M-2H]-	206.404	30932474
DeepCCS	[M+Na]+	181.632	30932474
AllCCS	[M+H]+	180.6	32859911
AllCCS	[M+H-H2O]+	177.4	32859911
AllCCS	[M+NH4]+	183.6	32859911
AllCCS	[M+Na]+	184.4	32859911
AllCCS	[M-H]-	174.4	32859911
AllCCS	[M+Na-2H]-	173.9	32859911
AllCCS	[M+HCOO]-	173.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 7-sulfate	OC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1	5517.6	Standard polar	33892256
Luteolin 7-sulfate	OC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1	2948.1	Standard non polar	33892256
Luteolin 7-sulfate	OC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1	3474.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 7-sulfate,1TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O)C=C3O2)C=C1O	3675.2	Semi standard non polar	33892256
Luteolin 7-sulfate,1TMS,isomer #2	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O)C=C3O2)=CC=C1O	3656.4	Semi standard non polar	33892256
Luteolin 7-sulfate,1TMS,isomer #3	C[Si](C)(C)OC1=CC(OS(=O)(=O)O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	3608.1	Semi standard non polar	33892256
Luteolin 7-sulfate,1TMS,isomer #4	C[Si](C)(C)OS(=O)(=O)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1	3670.0	Semi standard non polar	33892256
Luteolin 7-sulfate,2TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OS(=O)(=O)O)C=C3O2)C=C1O	3620.3	Semi standard non polar	33892256
Luteolin 7-sulfate,2TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O)C=C3O2)C=C1O[Si](C)(C)C	3526.7	Semi standard non polar	33892256
Luteolin 7-sulfate,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O[Si](C)(C)C)C=C3O2)C=C1O	3590.9	Semi standard non polar	33892256
Luteolin 7-sulfate,2TMS,isomer #4	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OS(=O)(=O)O)C=C3O2)=CC=C1O	3602.3	Semi standard non polar	33892256
Luteolin 7-sulfate,2TMS,isomer #5	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O[Si](C)(C)C)C=C3O2)=CC=C1O	3570.2	Semi standard non polar	33892256
Luteolin 7-sulfate,2TMS,isomer #6	C[Si](C)(C)OC1=CC(OS(=O)(=O)O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	3555.1	Semi standard non polar	33892256
Luteolin 7-sulfate,3TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OS(=O)(=O)O)C=C3O2)C=C1O[Si](C)(C)C	3524.8	Semi standard non polar	33892256
Luteolin 7-sulfate,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OS(=O)(=O)O[Si](C)(C)C)C=C3O2)C=C1O	3568.8	Semi standard non polar	33892256
Luteolin 7-sulfate,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	3463.1	Semi standard non polar	33892256
Luteolin 7-sulfate,3TMS,isomer #4	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OS(=O)(=O)O[Si](C)(C)C)C=C3O2)=CC=C1O	3547.4	Semi standard non polar	33892256
Luteolin 7-sulfate,4TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OS(=O)(=O)O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	3527.2	Semi standard non polar	33892256
Luteolin 7-sulfate,4TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OS(=O)(=O)O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	3548.8	Standard non polar	33892256
Luteolin 7-sulfate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O)C=C3O2)C=C1O	3988.4	Semi standard non polar	33892256
Luteolin 7-sulfate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O)C=C3O2)=CC=C1O	3961.7	Semi standard non polar	33892256
Luteolin 7-sulfate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(OS(=O)(=O)O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	3936.0	Semi standard non polar	33892256
Luteolin 7-sulfate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1	3941.0	Semi standard non polar	33892256
Luteolin 7-sulfate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OS(=O)(=O)O)C=C3O2)C=C1O	4196.2	Semi standard non polar	33892256
Luteolin 7-sulfate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4082.3	Semi standard non polar	33892256
Luteolin 7-sulfate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4154.2	Semi standard non polar	33892256
Luteolin 7-sulfate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OS(=O)(=O)O)C=C3O2)=CC=C1O	4161.9	Semi standard non polar	33892256
Luteolin 7-sulfate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4122.1	Semi standard non polar	33892256
Luteolin 7-sulfate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4127.3	Semi standard non polar	33892256
Luteolin 7-sulfate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OS(=O)(=O)O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4324.0	Semi standard non polar	33892256
Luteolin 7-sulfate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4330.1	Semi standard non polar	33892256
Luteolin 7-sulfate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4242.2	Semi standard non polar	33892256
Luteolin 7-sulfate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4300.4	Semi standard non polar	33892256
Luteolin 7-sulfate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4431.6	Semi standard non polar	33892256
Luteolin 7-sulfate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4525.0	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-sulfate GC-MS (Non-derivatized) - 70eV, Positive	splash10-000i-0389000000-bc3be220e184a387568b	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-sulfate GC-MS (3 TMS) - 70eV, Positive	splash10-066r-2002390000-21140598191fa9386089	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-sulfate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-sulfate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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 - Luteolin 7-sulfate 10V, Positive-QTOF	splash10-014i-0009000000-77243c5cf48d6c8e6a1d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-sulfate 20V, Positive-QTOF	splash10-014s-1097000000-b8a7abff08bcbdfc0431	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-sulfate 40V, Positive-QTOF	splash10-0159-4392000000-ed48b464c3e81ad4c02a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-sulfate 10V, Negative-QTOF	splash10-03di-0009000000-0e3291fc42b446d79394	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-sulfate 20V, Negative-QTOF	splash10-000i-0093000000-3e99011eb6273b78064c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-sulfate 40V, Negative-QTOF	splash10-00m3-2390000000-b7d4352892178e54bda9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-sulfate 10V, Positive-QTOF	splash10-014i-0009000000-3a9dc76a40fe3e35e989	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-sulfate 20V, Positive-QTOF	splash10-014i-0009000000-3a9dc76a40fe3e35e989	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-sulfate 40V, Positive-QTOF	splash10-00lr-0396000000-91ab8e250df7c913df62	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-sulfate 10V, Negative-QTOF	splash10-03di-0009000000-5bdd7222fc6896e7cd23	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-sulfate 20V, Negative-QTOF	splash10-03di-0009000000-81ed4e6f20641822babe	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-sulfate 40V, Negative-QTOF	splash10-0059-0963000000-e8f16f54fac8c237e467	2021-09-22	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

FDB017836

KNApSAcK ID

C00004328

Chemspider ID

24843757

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14016780

PDB ID

Not Available

ChEBI ID

Not Available

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 Luteolin 7-sulfate (HMDB0038472)

MOL for HMDB0038472 (Luteolin 7-sulfate)

3D MOL for HMDB0038472 (Luteolin 7-sulfate)

3D SDF for HMDB0038472 (Luteolin 7-sulfate)

3D-SDF for HMDB0038472 (Luteolin 7-sulfate)

PDB for HMDB0038472 (Luteolin 7-sulfate)

3D PDB for HMDB0038472 (Luteolin 7-sulfate)

SMILES for HMDB0038472 (Luteolin 7-sulfate)

INCHI for HMDB0038472 (Luteolin 7-sulfate)

Structure for HMDB0038472 (Luteolin 7-sulfate)

3D Structure for HMDB0038472 (Luteolin 7-sulfate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra