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pseudobaptigenin

Properties Image MNX_ID MNXM3346 reference chebi:78327 formula C16H9O5 global charge -1 mol weight 281.243 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 MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [C:1]1([C:6]2=[CH:9][C:8]3=[C:12]([CH2:15][CH2:16][CH2:13]3)[O:18]=[O:17]2)=[CH:4][CH2:7][C:5]2=[CH:11][O:19]([OH:21])=[O:20][CH:10]=[C:3]2[C:2]1=[CH2:14]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:78327 chebi:78327 KNJNBKINYHZUGC-UHFFFAOYSA-M	pseudobaptigenin 3-(1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-olate pseudobaptigenin(1-)
kegg.compound:C10522 keggC:C10522 KNJNBKINYHZUGC-UHFFFAOYSA-N	Pseudobaptigenin
hmdb:HMDB0036616 KNJNBKINYHZUGC-UHFFFAOYSA-N	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
lipidmaps:LMPK12050053 lipidmapsM:LMPK12050053 KNJNBKINYHZUGC-UHFFFAOYSA-N	Pseudobaptigenin 3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one
seed.compound:cpd07408 seedM:cpd07408 KNJNBKINYHZUGC-UHFFFAOYSA-M	Pseudobaptigenin pseudobaptigenin
metacyc.compound:CPD-3628 metacycM:CPD-3628 KNJNBKINYHZUGC-UHFFFAOYSA-N	pseudobaptigenin
CHEBI:8602 chebi:8602 KNJNBKINYHZUGC-UHFFFAOYSA-N	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