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aspulvinone E

Properties Image MNX_ID MNXM1369542 reference chebi:58240 formula C17H11O5 global charge -1 mol weight 295.27 InChIKey BNNVVTQUWNGKPH-ZROIWOOFSA-M InChI InChI=1S/C17H12O5/c18-12-5-1-10(2-6-12)9-14-16(20)15(17(21)22-14)11-3-7-13(19)8-4-11/h1-9,18-20H/p-1/b14-9- SMILES O=C1O/C(=C\c2ccc(O)cc2)C([O-])=C1c1ccc(O)cc1 MNX internals InChI (mnx) InChI=1/C17H12O5/c18-12-5-1-10(2-6-12)9-14-16(20)15(17(21)22-14)11-3-7-13(19)8-4-11/h1-9,18-20H/b14-9- SMILES (mnx) [C:1]1([c:2]2[cH:5][cH:11][c:14]([CH3:16])[cH:12][cH:6]2)=[C:3]([CH3:8])/[C:7](=[CH:13]\[C:15]2=[CH:17][O:19]=[O:21]([OH:22])[O:20]=[O:18]2)[CH2:9][C:4]1=[CH2:10]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:58240 chebi:58240 BNNVVTQUWNGKPH-ZROIWOOFSA-M	aspulvinone E (2Z)-2-(4-hydroxybenzylidene)-4-(4-hydroxyphenyl)-5-oxo-2,5-dihydrofuran-3-olate (2Z)-4-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-5-oxo-2,5-dihydrofuran-3-olate aspulvinone E anion aspulvinone E(1-)
vmhM:aspvne vmhM:aspvne vmhmetabolite:aspvne vmhmetabolite:aspvne	Aspulvinone E
kegg.compound:C02006 keggC:C02006 BNNVVTQUWNGKPH-ZROIWOOFSA-N	Aspulvinone E (5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylene]-2(5H)-furanone
metacyc.compound:ASPULVINONE-E metacycM:ASPULVINONE-E BNNVVTQUWNGKPH-ZROIWOOFSA-M	aspulvinone E
CHEBI:17704 chebi:17704 BNNVVTQUWNGKPH-ZROIWOOFSA-N	aspulvinone E (5Z)-4-hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2(5H)-one (5Z)-4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one Aspulvinone E
chebi:13863 chebi:22666 chebi:2891 keggC:M_C02006 vmhM:M_aspvne	secondary/obsolete/fantasy identifier