ChEBI
  Marvin  12120614562D          

 32 35  0  0  0  0            999 V2000
    3.9635   -7.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490   -8.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6780   -8.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6780   -8.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1068   -8.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923   -7.6915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923   -9.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923  -10.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9635   -9.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9635  -10.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490   -8.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1068   -8.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8213   -7.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5357   -6.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8213   -6.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5357   -8.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2502   -6.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9646   -6.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2502   -7.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9646   -8.1040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346   -7.6915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8201   -8.1040    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1057   -9.3415    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1057  -10.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8201   -8.9290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5346   -9.3415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3912   -8.9290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3233   -9.3415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3912   -8.1040    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0377   -8.1040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3233   -7.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1057   -7.6915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1 11  1  0  0  0  0
  9  2  1  0  0  0  0
  2 11  2  0  0  0  0
  3  9  2  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  5 12  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 15 13  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 16 19  2  0  0  0  0
 19 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 22 21  1  1  0  0  0
 25 22  1  0  0  0  0
 32 22  1  0  0  0  0
 27 23  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  1  0  0  0
 25 26  1  6  0  0  0
 29 27  1  0  0  0  0
 27 28  1  6  0  0  0
 32 29  1  0  0  0  0
 29 31  1  1  0  0  0
 31 30  1  0  0  0  0
M  END
> <ID>
CHEBI:27994

> <NAME>
luteolin 7-O-beta-D-glucoside

> <DEFINITION>
A glycosyloxyflavone that is luteolin substituted by a β-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:25089; CHEBI:20779; CHEBI:6582; CHEBI:29061; CHEBI:12251

> <SYNONYM>
Luteoloside; Luteolin-7-glucoside; Luteolin 7-O-glucoside; Luteolin 7-O-glucopyranoside; Luteolin 7-O-beta-D-glucoside; Luteolin 7-monoglucoside; Luteolin 7-glucoside; Cynaroside; Cinaroside; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; 7-Glucosylluteolin; 7-Glucoluteolin; 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside

> <IUPAC_NAME>
7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one

> <FORMULA>
C21H20O11

> <MASS>
448.37690

> <MONOISOTOPIC_MASS>
448.10056

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI>
InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1

> <INCHIKEY>
PEFNSGRTCBGNAN-QNDFHXLGSA-N

> <CAS_REGISTRY_NUMBER>
5373-11-5

> <REAXYS_REGISTRY_NUMBER>
66982

> <CHEMIDPLUS>
5373-11-5

> <KEGG_COMPOUND_ACCESSION>
C03951

> <KNAPSACK_ACCESSION>
C00004266

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12110642

> <METACYC_ACCESSION>
LUTEOLIN-7-O-BETA-D-GLUCOSIDE

> <WIKIPEDIA_ACCESSION>
Cynaroside

> <PUBMED_CITATION>
20127879; 22741463; 23019878; 7875536

$$$$