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CHEBI:204274 - Herbarulide

ChEBI IDCHEBI:204274
ChEBI NameHerbarulide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O3
Net Charge0
Average Mass424.625
Monoisotopic Mass424.29775
SMILESCC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)OC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)31-25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24H,9-14H2,1-6H3/b8-7+/t18-,19-,22-,23+,24+,27-,28-/m1/s1
InChIKeyZBDCBYOOVMXUHB-WVOOIZFRSA-N
Species of MetaboliteComponentSourceComments
Stemphylium vesicarium (ncbitaxon:119933) - PubMed (10217727)
ChEBI Ontology
Outgoing Relation(s)
Herbarulide (CHEBI:204274) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1S,2R,12R,15R,16R)-15-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxatetracyclo[9.7.0.02,7.012,16]octadeca-6,10-diene-5,9-dione
Manual XrefsDatabases
10193991ChemSpider