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pseudobaptigenin

PropertiesImage
MNX_IDMNXM3346 Image of MNXM3346
referencechebi:78327
formulaC16H9O5
global charge-1
mol weight281.243
InChIKeyKNJNBKINYHZUGC-UHFFFAOYSA-M
InChIInChI=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
SMILESO=C1C(C2=CC3=C(C=C2)OCO3)=COC2=CC([O-])=CC=C12
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 Image of MNXM3346
SMILES (mnx)[CH:1]1=[CH:4][C:13]2=[C:15]([CH:5]=[C:9]1[C:12]1=[CH:7][O:19][C:14]3=[C:11]([CH:3]=[CH:2][C:10]([OH:17])=[CH:6]3)[C:16]1=[O:18])[O:21][CH2:8][O:20]2
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
IdentifierDescription

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