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prunetin

PropertiesImage
MNX_IDMNXM9059 Image of MNXM9059
referencechebi:147403
formulaC16H11O5
global charge-1
mol weight283.259
InChIKeyKQMVAGISDHMXJJ-UHFFFAOYSA-M
InChIInChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3/p-1
SMILESCOC1=CC([O-])=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1
MNX internals
InChI (mnx)InChI=1/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 Image of MNXM9059
SMILES (mnx)[CH3:1][O:20][C:11]1=[CH:6][C:13]([OH:18])=[C:15]2[C:14](=[CH:7]1)[O:21][CH:8]=[C:12]([C:9]1=[CH:3][CH:5]=[C:10]([OH:17])[CH:4]=[CH:2]1)[C:16]2=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:147403
chebi:147403
KQMVAGISDHMXJJ-UHFFFAOYSA-M
prunetin
3-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-5-olate
3-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-olate
prunetin-5-olate

sabiork.compound:12603
sabiorkM:12603
kegg.compound:C10521
keggC:C10521
KQMVAGISDHMXJJ-UHFFFAOYSA-N
Prunetin
hmdb:HMDB0034127
KQMVAGISDHMXJJ-UHFFFAOYSA-N
Prunetin
4',5-Dihydroxy-7-methoxygenistein
4',5-Dihydroxy-7-methoxyisoflavone
5,4'-Dihydroxy-7-methoxyisoflavone
5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-benzopyrone
5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one, 9ci
5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one
7-O-Methyl-genistein
Isoflavone, 4',5-dihydroxy-7-methoxy- (7ci,8ci)
Padmakastein
Prunusetin
prunetin

lipidmaps:LMPK12050353
lipidmapsM:LMPK12050353
KQMVAGISDHMXJJ-UHFFFAOYSA-N
Prunetin
5,4'-Dihydroxy-7-methoxyisoflavone
Prunusetin

seed.compound:cpd07407
seedM:cpd07407
KQMVAGISDHMXJJ-UHFFFAOYSA-N
Prunetin
prunetin

metacyc.compound:CPD-3521
metacycM:CPD-3521
KQMVAGISDHMXJJ-UHFFFAOYSA-N
prunetin

CHEBI:8600
chebi:8600
KQMVAGISDHMXJJ-UHFFFAOYSA-N
prunetin
4',5-dihydroxy-7-methoxygenistein
4',5-dihydroxy-7-methoxyisoflavone
5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-benzopyrone
5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one
7-O-methyl-genistein
Padmakastein
Prunetin
Prunusetin

hmdb:HMDB34127
keggC:M_C10521
seedM:M_cpd07407
secondary/obsolete/fantasy identifier