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2,3-dihydrobiochanin A

PropertiesImage
MNX_IDMNXM1371639 Image of MNXM1371639
referencechebi:15712
formulaC16H14O5
global charge0
mol weight286.283
InChIKeyXPZQBSCTDLGDBP-UHFFFAOYSA-N
InChIInChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-7,12,17-18H,8H2,1H3
SMILESCOC1=CC=C(C2COC3=CC(O)=CC(O)=C3C2=O)C=C1
MNX internals
InChI (mnx)InChI=1/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-7,12,17-18H,8H2,1H3/t12? Image of MNXM1371639
SMILES (mnx)[CH3:1][O:20][C:11]1=[CH:5][CH:3]=[C:9]([CH:12]2[CH2:8][O:21][C:14]3=[CH:7][C:10]([OH:17])=[CH:6][C:13]([OH:18])=[C:15]3[C:16]2=[O:19])[CH:2]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15712
chebi:15712
XPZQBSCTDLGDBP-UHFFFAOYSA-N 		2,3-dihydrobiochanin A
2,3-Dihydrobiochanin A
5,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
Dihydrobiochanin A

CHEBI:57480
chebi:57480
XPZQBSCTDLGDBP-UHFFFAOYSA-M 		2,3-dihydrobiochanin A(1-)
2,3-dihydrobiochanin A anion
5-hydroxy-3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-olate
5-hydroxy-3-(4-methoxyphenyl)-4-oxochroman-7-olate

lipidmaps:LMPK12050475
lipidmapsM:LMPK12050475
XPZQBSCTDLGDBP-UHFFFAOYSA-N 		Dihydrobiochanin A
(3S)-3alpha-(4-Methoxyphenyl)-5,7-dihydroxy-2H-1-benzopyran-4(3H)-one

kegg.compound:C02675
keggC:C02675
XPZQBSCTDLGDBP-UHFFFAOYSA-N 		Dihydrobiochanin A
2,3-Dihydrobiochanin A

seed.compound:cpd01738
seedM:cpd01738
XPZQBSCTDLGDBP-UHFFFAOYSA-N 		Dihydrobiochanin A
2,3-Dihydrobiochanin A
dihydrobiochanin-A

chebi:14143
chebi:23731
chebi:4554
keggC:M_C02675
seedM:M_cpd01738 		secondary/obsolete/fantasy identifier