EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219966 - Orevactaene

ChEBI IDCHEBI:219966
ChEBI NameOrevactaene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H44O10
Net Charge0
Average Mass612.716
Monoisotopic Mass612.29345
SMILESCCC(C)CC(C)/C=C(/C=C(C)/C=C/C=C/C=C/C=C/C=C/c1cc2c(c(=O)o1)[C@H](O)[C@@H](O)[C@H](C(O)C(O)CO)O2)C(=O)O
InChIInChI=1S/C34H44O10/c1-5-21(2)16-23(4)18-24(33(40)41)17-22(3)14-12-10-8-6-7-9-11-13-15-25-19-27-28(34(42)43-25)30(38)31(39)32(44-27)29(37)26(36)20-35/h6-15,17-19,21,23,26,29-32,35-39H,5,16,20H2,1-4H3,(H,40,41)/b7-6+,10-8+,11-9+,14-12+,15-13+,22-17+,24-18-/t21?,23?,26?,29?,30-,31+,32-/m0/s1
InChIKeyGDSQFNQIWJCATH-PHOXTJPWSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - DOI (10.1016/S0960-894X(97)00407-1)
ChEBI Ontology
Outgoing Relation(s)
Orevactaene (CHEBI:219966) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-dihydroxy-5-oxo-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyrano[3,2-c]pyran-7-yl]-2-(2,4-dimethylhexylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid
Manual XrefsDatabases
4953612ChemSpider