EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200367 - Oblongolide W2

ChEBI IDCHEBI:200367
ChEBI NameOblongolide W2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESC[C@@H]1CC[C@@H]2[C@H](C=C[C@H]3COC(=O)[C@@](O)(CO)[C@@]23C)C1
InChIInChI=1S/C16H24O4/c1-10-3-6-13-11(7-10)4-5-12-8-20-14(18)16(19,9-17)15(12,13)2/h4-5,10-13,17,19H,3,6-9H2,1-2H3/t10-,11-,12+,13-,15-,16+/m1/s1
InChIKeyJDKSFOWBWOHISV-JRKAUPQBSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies BCC 9789 (ncbitaxon:704643) - PubMed (20038128)
ChEBI Ontology
Outgoing Relation(s)
Oblongolide W2 (CHEBI:200367) is a organic heterotricyclic compound (CHEBI:26979)
Oblongolide W2 (CHEBI:200367) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4aR,6aS,8R,10aR,10bS)-1-hydroxy-1-(hydroxymethyl)-8,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[]isochromen-2-one
Manual XrefsDatabases
78436609ChemSpider