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cajanol

PropertiesImage
MNX_IDMNXM103392 Image of MNXM103392
referencechebi:70034
formulaC17H16O6
global charge0
mol weight316.309
InChIKeyRYYWWFXWFMYKJM-GFCCVEGCSA-N
InChIInChI=1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3/t12-/m1/s1
SMILESCOC1=CC2=C(C(=O)[C@@H](C3=C(OC)C=C(O)C=C3)CO2)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3/t12-/m1/s1 Image of MNXM103392
SMILES (mnx)[CH3:1][O:21][C:10]1=[CH:6][C:13]([OH:19])=[C:16]2[C:15](=[CH:7]1)[O:23][CH2:8][C@H:12]([C:11]1=[C:14]([O:22][CH3:2])[CH:5]=[C:9]([OH:18])[CH:3]=[CH:4]1)[C:17]2=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70034
chebi:70034
RYYWWFXWFMYKJM-GFCCVEGCSA-N 		cajanol
(3S)-5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-2,3-dihydro-4H-1-benzopyran-4-one

seed.compound:cpd07093
seedM:cpd07093
kegg.compound:C10204
keggC:C10204
lipidmaps:LMPK12050499
lipidmapsM:LMPK12050499
RYYWWFXWFMYKJM-UHFFFAOYSA-N 		Cajanol
hmdb:HMDB0033924
RYYWWFXWFMYKJM-UHFFFAOYSA-N 		Cajanol
4',5-Dihydroxy-2',7-dimethoxyisoflavanone
5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
cajanol

hmdb:HMDB33924
chebi:3298
keggC:M_C10204
seedM:M_cpd07093 		secondary/obsolete/fantasy identifier