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CHEBI:198632 - Phomalactone deriv. III

Default Structure
ChEBI IDCHEBI:198632
ChEBI NamePhomalactone deriv. III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O7
Net Charge0
Average Mass406.475
Monoisotopic Mass406.19915
SMILESCC(/C=C/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/C(=O)O)=C\C(C)CCCCC(C)O
InChIInChI=1S/C22H30O7/c1-15(6-4-5-7-17(3)23)14-16(2)8-12-21(26)29-19-10-13-22(27)28-18(19)9-11-20(24)25/h8-15,17-19,23H,4-7H2,1-3H3,(H,24,25)/b11-9+,12-8+,16-14+/t15?,17?,18-,19-/m0/s1
InChIKeyJDUDUAQYAOKPNE-LGFSKDTGSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (10604755)
ChEBI Ontology
Outgoing Relation(s)
Phomalactone deriv. III (CHEBI:198632) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(E)-3-[(2S,3S)-3-[(2E,4E)-11-hydroxy-4,6-dimethyldodeca-2,4-dienoyl]oxy-6-oxo-2,3-dihydropyran-2-yl]prop-2-enoic acid
Manual XrefsDatabases
8962821ChemSpider