Marvin  02130715302D          

 32 35  0  0  0  0            999 V2000
    0.0895    0.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895   -0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5184   -0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8039    1.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8039   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8039   -1.2438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5184    0.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2329    1.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9473    2.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2329    2.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9473    0.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618    2.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    2.4688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618    1.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    0.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -1.2438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    1.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    2.0563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0895    2.4688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3395   -0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895    3.2938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6250    3.7063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6250    4.5313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3395    2.4688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0539    2.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3395    3.2938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0539    3.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8039    3.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8039    4.5313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3395    0.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0540    1.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 31  2  0  0  0  0
 18  1  1  0  0  0  0
 31 21  1  0  0  0  0
 21 16  2  0  0  0  0
 16  2  1  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  1  0  0  0  0
  3  7  2  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
 10  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 11 14  2  0  0  0  0
 14 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 19 18  1  1  0  0  0
 25 19  1  0  0  0  0
 19 20  1  0  0  0  0
 23 27  1  0  0  0  0
 23 22  1  0  0  0  0
 27 25  1  0  0  0  0
 20 22  1  0  0  0  0
 22 29  1  1  0  0  0
 23 24  1  6  0  0  0
 25 26  1  6  0  0  0
 27 28  1  1  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <ID>
CHEBI:7781

> <NAME>
orientin

> <DEFINITION>
A C-glycosyl compound that is luteolin substituted by a β-D-glucopyranosyl moiety at position 8.

> <STAR>
3

> <SYNONYM>
Orientin; Lutexin; Luteolin 8-C-glucoside; 8-beta-D-glucosylluteolin

> <IUPAC_NAME>
2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-chromen-4-one

> <FORMULA>
C21H20O11

> <MASS>
448.37690

> <MONOISOTOPIC_MASS>
448.10056

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1

> <INCHI>
InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1

> <INCHIKEY>
PLAPMLGJVGLZOV-VPRICQMDSA-N

> <CAS_REGISTRY_NUMBER>
28608-75-5

> <REAXYS_REGISTRY_NUMBER>
69376

> <CHEMIDPLUS>
28608-75-5

> <KEGG_COMPOUND_ACCESSION>
C10114

> <KNAPSACK_ACCESSION>
C00001078

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12110470

> <WIKIPEDIA_ACCESSION>
Orientin

> <PUBMED_CITATION>
21283956; 21417394; 22994444; 23107458; 23358325

$$$$