Marvin  08231314362D          

 22 24  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   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
   -2.1434    1.2375    0.0000 O   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
    2.1434    2.0625    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
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    2.4750    0.0000 O   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
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 19 20  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
> <ID>
CHEBI:75092

> <NAME>
morin

> <DEFINITION>
A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6998

> <SYNONYM>
C.I.Natural Yellow 8; 3,5,7,2',4'-Pentahydroxyflavone; 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; 2',4',5,7-Tetrahydroxyflavonol; 2',4',5,7-Tetrahydroxyflavan-3-ol; 2',4',3,5,7-Pentahydroxyflavone; 2',3,4',5,7-Pentahydroxyflavone

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

> <FORMULA>
C15H10O7

> <MASS>
302.23570

> <MONOISOTOPIC_MASS>
302.04265

> <CHARGE>
0

> <SMILES>
Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O

> <INCHI>
InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H

> <INCHIKEY>
YXOLAZRVSSWPPT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
480-16-0

> <REAXYS_REGISTRY_NUMBER>
327474

> <CHEMIDPLUS>
480-16-0

> <KEGG_COMPOUND_ACCESSION>
C10105

> <KNAPSACK_ACCESSION>
C00004624

> <LINCS_ACCESSION>
LSM-36988

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12112517

> <WIKIPEDIA_ACCESSION>
Morin_(flavonol)

> <PUBMED_CITATION>
15516722; 16806951; 18629640; 19539802; 19774509; 22740350; 23030699; 23254912; 23279849; 23352912; 23384060; 23432089; 23590821; 23757948; 23952478

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