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CHEBI:17099 - aspulvinone H

Default Structure
ChEBI IDCHEBI:17099
ChEBI Nameaspulvinone H
Stars
Secondary ChEBI IDsCHEBI:2893, CHEBI:13864, CHEBI:22668
Last Modified11 November 2010
DownloadsMolfile
FormulaC27H28O5
Net Charge0
Average Mass432.516
Monoisotopic Mass432.19367
SMILESCC(C)=CCc1cc(/C=C2\OC(=O)C(c3ccc(O)c(CC=C(C)C)c3)=C2O)ccc1O
InChIInChI=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/b24-14-
InChIKeyLFDYHAWYVIBCDT-OYKKKHCWSA-N
Roles Classification
Biological Role:
biological pigment  An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
ChEBI Ontology
Outgoing Relation(s)
aspulvinone H (CHEBI:17099) is a aspulvinone (CHEBI:22669)
aspulvinone H (CHEBI:17099) is conjugate acid of aspulvinone H(1−) (CHEBI:58013)
Incoming Relation(s)
aspulvinone H(1−) (CHEBI:58013) is conjugate base of aspulvinone H (CHEBI:17099)
IUPAC Name 
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
Synonym  Source
Aspulvinone HKEGG COMPOUND
Manual XrefsDatabases
C02008KEGG COMPOUND
C02008KEGG COMPOUND
Registry NumbersSources
CAS:57744-69-1KEGG COMPOUND