EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214314 - Heptelidic acid

ChEBI IDCHEBI:214314
ChEBI NameHeptelidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC(C)[C@H]1CC[C@@]2(CO2)[C@H]2C(=O)OCC(C(=O)O)=C[C@H]12
InChIInChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10-,11-,12-,15-/m1/s1
InChIKeyJESMSCGUTIEROV-RTWAVKEYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma virens (ncbitaxon:29875) - PubMed (7191847)
ChEBI Ontology
Outgoing Relation(s)
Heptelidic acid (CHEBI:214314) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5aS,6R,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
Manual XrefsDatabases
9121060ChemSpider