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CHEBI:204772 - (1S,9R,12R,13S)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione

ChEBI IDCHEBI:204772
ChEBI Name(1S,9R,12R,13S)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O5
Net Charge0
Average Mass288.299
Monoisotopic Mass288.09977
SMILESC[C@@]12C=C[C@H](O)[C@]3(C)C(=O)O[C@H](C=C4COC(=O)C=C41)C23
InChIInChI=1S/C16H16O5/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/h3-6,10-11,13,17H,7H2,1-2H3/t10-,11+,13?,15-,16+/m1/s1
InChIKeyHBGYEPXELMLLBL-QSGGJWILSA-N
Species of MetaboliteComponentSourceComments
Clarireedia homoeocarpa (ncbitaxon:1436886) - PubMed (19928902)
ChEBI Ontology
Outgoing Relation(s)
(1S,9R,12R,13S)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione (CHEBI:204772) is a organic heterotricyclic compound (CHEBI:26979)
(1S,9R,12R,13S)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione (CHEBI:204772) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,9R,12R,13S)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione
Manual XrefsDatabases
24672203ChemSpider