Marvin  08231315522D          

 19 21  0  0  0  0            999 V2000
    8.9455   -5.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9455   -5.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599   -6.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2311   -6.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599   -4.7591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2311   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3745   -5.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599   -7.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5165   -5.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2311   -7.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3745   -5.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5165   -5.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0889   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8021   -4.7591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8034   -5.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0889   -3.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5179   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8034   -3.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5179   -3.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <ID>
CHEBI:75095

> <NAME>
chrysin

> <DEFINITION>
A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:3683

> <SYNONYM>
5,7-Dihydroxyflavone; 5,7-dihydroxy-2-phenylchromen-4-one; 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one; 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one

> <FORMULA>
C15H10O4

> <MASS>
254.23750

> <MONOISOTOPIC_MASS>
254.05791

> <CHARGE>
0

> <SMILES>
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1

> <INCHI>
InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H

> <INCHIKEY>
RTIXKCRFFJGDFG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
233276

> <CAS_REGISTRY_NUMBER>
480-40-0

> <REAXYS_REGISTRY_NUMBER>
233276

> <CHEMIDPLUS>
480-40-0

> <KEGG_COMPOUND_ACCESSION>
C10028

> <KNAPSACK_ACCESSION>
C00003794

> <LINCS_ACCESSION>
LSM-6566

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12110189

> <METACYC_ACCESSION>
CPD-8184

> <NIST_CHEMISTRY_WEBBOOK>
480-40-0

> <PDBECHEM_ACCESSION>
57D

> <WIKIPEDIA_ACCESSION>
Chrysin

> <PUBMED_CITATION>
1772594; 21544919; 22864849; 22991264; 23104078; 23125118; 23194824; 23256457; 23296950; 23357962; 23468207; 23536316; 23636231; 23744338; 23888052; 23945741; 23962900

$$$$