EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200094 - (1S,9R,12R,13R)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione

ChEBI IDCHEBI:200094
ChEBI Name(1S,9R,12R,13R)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESC[C@@]12CC[C@@H](O)[C@]3(C)C(=O)O[C@H](C=C4COC(=O)C=C41)C23
InChIInChI=1S/C16H18O5/c1-15-4-3-11(17)16(2)13(15)10(21-14(16)19)5-8-7-20-12(18)6-9(8)15/h5-6,10-11,13,17H,3-4,7H2,1-2H3/t10-,11-,13?,15-,16+/m1/s1
InChIKeyFLYQLHNNCNPTGV-LCLYFNTLSA-N
Species of MetaboliteComponentSourceComments
Clarireedia homoeocarpa (ncbitaxon:1436886) - PubMed (19928902)
ChEBI Ontology
Outgoing Relation(s)
(1S,9R,12R,13R)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione (CHEBI:200094) is a organic heterotricyclic compound (CHEBI:26979)
(1S,9R,12R,13R)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione (CHEBI:200094) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,9R,12R,13R)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione
Manual XrefsDatabases
24668919ChemSpider