EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226736 - (1S,2R,4R,10S,13R,14R)-13-hydroxy-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione

ChEBI IDCHEBI:226736
ChEBI Name(1S,2R,4R,10S,13R,14R)-13-hydroxy-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESC[C@]12CC[C@@H](O)[C@]3(C)C(=O)O[C@@H](C13)[C@H]1O[C@]13COC(=O)C=C32
InChIInChI=1S/C16H18O6/c1-14-4-3-8(17)15(2)11(14)10(21-13(15)19)12-16(22-12)6-20-9(18)5-7(14)16/h5,8,10-12,17H,3-4,6H2,1-2H3/t8-,10+,11?,12-,14-,15+,16+/m1/s1
InChIKeyFPHTXVPKBSQQAM-RALQGXDMSA-N
Species of MetaboliteComponentSourceComments
Clarireedia homoeocarpa (ncbitaxon:1436886) - PubMed (19928902)
ChEBI Ontology
Outgoing Relation(s)
(1S,2R,4R,10S,13R,14R)-13-hydroxy-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione (CHEBI:226736) is a organic heterotricyclic compound (CHEBI:26979)
(1S,2R,4R,10S,13R,14R)-13-hydroxy-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione (CHEBI:226736) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,4R,10S,13R,14R)-13-hydroxy-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
Manual XrefsDatabases
24671471ChemSpider