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CHEBI:214364 - Phomenolactone

Default Structure
ChEBI IDCHEBI:214364
ChEBI NamePhomenolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56O7
Net Charge0
Average Mass576.815
Monoisotopic Mass576.40260
SMILESCCC(C)CC(C)CC(C)/C=C(/C=C(\C)C(O)C(C)/C=C/C(O)C/C=C/C(O)C/C=C/C1CC(O)CC(=O)O1)CO
InChIInChI=1S/C34H56O7/c1-7-23(2)16-24(3)17-25(4)18-28(22-35)19-27(6)34(40)26(5)14-15-30(37)11-8-10-29(36)12-9-13-32-20-31(38)21-33(39)41-32/h8-10,13-15,18-19,23-26,29-32,34-38,40H,7,11-12,16-17,20-22H2,1-6H3/b10-8+,13-9+,15-14+,27-19+,28-18-
InChIKeyWARAHFBYZHPXNP-CMKJWTFASA-N
Species of MetaboliteComponentSourceComments
Plenodomus lingam (ncbitaxon:5022) - DOI (10.1016/s0031-9422(00)85518-1)
ChEBI Ontology
Outgoing Relation(s)
Phomenolactone (CHEBI:214364) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
4-hydroxy-6-[(1E,5E,9E,13E,15Z)-4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyltricosa-1,5,9,13,15-pentaenyl]oxan-2-one
Manual XrefsDatabases
4944059ChemSpider