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pseudobaptigenin

Properties

Image

Occurences in reactions

MNX_ID

MNXM3346

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

formula

C₁₆H₉O₅

charge

-1

mass

281.04555

reference

InChIKey

KNJNBKINYHZUGC-UHFFFAOYSA-M

InChI

InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2/p-1

SMILES

O=c1c(-c2ccc3c(c2)OCO3)coc2cc([O-])ccc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78327 chebi:78327	pseudobaptigenin 3-(1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-olate pseudobaptigenin(1-)
kegg.compound:C10522 keggC:C10522 lipidmaps:LMPK12050053 lipidmapsM:LMPK12050053	Pseudobaptigenin
hmdb:HMDB0036616	Pseudobaptigenin .psi.-baptigenin 3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one 3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one, 9ci 3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one 3-(2H-1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one 7-Hydroxy-3', 4'-methylenedioxyisoflavone 7-Hydroxy-3',4'-(methylenedioxy)-isoflavone 7-Hydroxy-3',4'-(methylenedioxy)isoflavone Pseudobaptisin aglycone Psi-baptigenin Y-baptigenin pseudobaptigenin
seed.compound:cpd07408 seedM:cpd07408	Pseudobaptigenin pseudobaptigenin
metacyc.compound:CPD-3628 metacycM:CPD-3628	pseudobaptigenin
CHEBI:8602 chebi:8602	pseudobaptigenin 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one 7-hydroxy-3',4'-(methylenedioxy)isoflavone pseudobaptisin aglycone psi-baptigenin
hmdb:HMDB36616 keggC:M_C10522 seedM:M_cpd07408	secondary/obsolete/fantasy identifier