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(3R)-vestitone

PropertiesImage
MNX_IDMNXM729355 Image of MNXM729355
referencechebi:16786
formulaC16H14O5
global charge0
mol weight286.283
InChIKeyWQCJOKYOIJVEFN-ZDUSSCGKSA-N
InChIInChI=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
SMILESCOC1=CC(O)=C([C@@H]2COC3=CC(O)=CC=C3C2=O)C=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM729355
SMILES (mnx)[CH3:1][O:20][C:10]1=[CH:7][C:14]([OH:18])=[C:11]([C@@H:13]2[CH2:8][O:21][C:15]3=[C:12]([CH:4]=[CH:2][C:9]([OH:17])=[CH:6]3)[C:16]2=[O:19])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16786
chebi:16786
WQCJOKYOIJVEFN-ZDUSSCGKSA-N 		(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
WQCJOKYOIJVEFN-ZDUSSCGKSA-N 		(-)-Vestitone
Vestitone

metacyc.compound:VESTITONE
metacycM:VESTITONE
WQCJOKYOIJVEFN-ZDUSSCGKSA-N 		(3R)-vestitone
(-)-vestitone
vestitone

seed.compound:cpd00582
seedM:cpd00582
WQCJOKYOIJVEFN-ZDUSSCGKSA-N 		Vestitone
(-)-Vestitone
(-)-vestitone
(3R)-vestitone
vestitone

chebi:15307
chebi:27284
chebi:9972
keggC:M_C00786
seedM:M_cpd00582 		secondary/obsolete/fantasy identifier