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(3R)-vestitone

Properties

Image

Occurences in reactions

MNX_ID

MNXM729355

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	1

formula

C₁₆H₁₄O₅

charge

mass

286.283

reference

InChIKey

WQCJOKYOIJVEFN-ZDUSSCGKSA-N

InChI

InChI=1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3/t13-/m0/s1

SMILES

[CH3:1][O:20][c:10]1[cH:3][cH:5][c:11]([C@@H:13]2[CH2:8][O:21][c:15]3[cH:6][c:9]([OH:17])[cH:2][cH:4][c:12]3[C:16]2=[O:19])[c:14]([OH:18])[cH:7]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16786 chebi:16786	(3R)-vestitone (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one (3R)-vestitol 2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 7,2'-Dihydroxy-4'-methoxyisoflavanone Vestitone vestitone
kegg.compound:C00786 keggC:C00786	(-)-Vestitone Vestitone
metacyc.compound:VESTITONE metacycM:VESTITONE	(3R)-vestitone (-)-vestitone vestitone
seed.compound:cpd00582 seedM:cpd00582	Vestitone (-)-Vestitone (-)-vestitone (3R)-vestitone vestitone
hmdb:HMDB0031620	Vestitone (3R3S)-Vestitone 2',7-Dihydroxy-4'-methoxyisoflavanone 2,3-dihydro-7-Hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one vestitone
lipidmaps:LMPK12050462 lipidmapsM:LMPK12050462	Vestitone 7,2'-Dihydroxy-4'-methoxyisoflavanone
hmdb:HMDB31620 chebi:15307 chebi:27284 chebi:9972 keggC:M_C00786 seedM:M_cpd00582	secondary/obsolete/fantasy identifier