Marvin  09240708202D          

 23 25  0  0  0  0            999 V2000
   -1.7500    1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4645   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355    0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3211    1.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3211   -0.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3211   -1.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -1.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4645    0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789    1.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3934    0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1079    1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8299    0.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0925    1.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3934   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1079   -0.6063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    1.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2511    0.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212    1.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2356    2.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7991    2.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7991    3.1194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1  3  1  0  0  0  0
 10  2  1  0  0  0  0
  2  8  2  0  0  0  0
  8  4  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 16  1  0  0  0  0
 16 12  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 18 20  2  0  0  0  0
 20 22  1  0  0  0  0
 22 15  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <ID>
CHEBI:18152

> <NAME>
myricetin

> <DEFINITION>
A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. It has been isolated from the leaves of Myrica rubra and other plants.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44341; CHEBI:7053; CHEBI:14636

> <SYNONYM>
Myricetol; Myricetin; Cannabiscetin; 3,5,7,3',4',5'-Hexahydroxyflavone; 3,3',4',5,5',7-Hexahydroxyflavone

> <IUPAC_NAME>
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

> <FORMULA>
C15H10O8

> <MASS>
318.23510

> <MONOISOTOPIC_MASS>
318.03757

> <CHARGE>
0

> <SMILES>
Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O

> <INCHI>
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H

> <INCHIKEY>
IKMDFBPHZNJCSN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
332331

> <CAS_REGISTRY_NUMBER>
529-44-2

> <REAXYS_REGISTRY_NUMBER>
332331

> <CHEMIDPLUS>
529-44-2

> <DRUGBANK_ACCESSION>
DB02375

> <KEGG_COMPOUND_ACCESSION>
C10107

> <KNAPSACK_ACCESSION>
C00001071

> <LINCS_ACCESSION>
LSM-2957

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12110001

> <METACYC_ACCESSION>
MYRICETIN

> <PDBECHEM_ACCESSION>
MYC

> <WIKIPEDIA_ACCESSION>
Myricetin

> <PUBMED_CITATION>
19407970; 19778600; 22482362; 23099505; 23232835; 23265454; 23736695

$$$$