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aspulvinone H

Properties

Image

Occurences in reactions

MNX_ID

MNXM4474

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₇H₂₇O₅

charge

-1

mass

431.1864

reference

chebi:58013

InChIKey

LFDYHAWYVIBCDT-OYKKKHCWSA-M

InChI

InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3/p-1/b24-14-

SMILES

CC(C)=CCc1cc(/C=C2\OC(=O)C(c3ccc(O)c(CC=C(C)C)c3)=C2[O-])ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58013 chebi:58013	aspulvinone H 2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzylidene]-4-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5-oxo-2,5-dihydrofuran-3-olate aspulvinone H anion aspulvinone H(1-)
kegg.compound:C02008 keggC:C02008	Aspulvinone H
seed.compound:cpd01373 seedM:cpd01373	Aspulvinone H aspulvinone-h
CHEBI:17099 chebi:17099	aspulvinone H 4-hydroxy-5-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzylidene]-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]furan-2(5H)-one Aspulvinone H
metacyc.compound:ASPULVINONE-H metacycM:ASPULVINONE-H	aspulvinone-h
chebi:13864 chebi:22668 chebi:2893 keggC:M_C02008 seedM:M_cpd01373	secondary/obsolete/fantasy identifier