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CHEBI:212991 - Corynesporol

ChEBI IDCHEBI:212991
ChEBI NameCorynesporol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESCOc1cc(OC)c2c(c1)C(=O)[C@@H]1C[C@](C)(O)OC[C@H]1[C@@H]2O
InChIInChI=1S/C16H20O6/c1-16(19)6-10-11(7-22-16)15(18)13-9(14(10)17)4-8(20-2)5-12(13)21-3/h4-5,10-11,15,18-19H,6-7H2,1-3H3/t10-,11-,15+,16-/m1/s1
InChIKeyQZSXFCXNYYUIPY-NSLUBLRVSA-N
Species of MetaboliteComponentSourceComments
Corynesporaspecies (ncbitaxon:1906950) - PubMed (17988097)
ChEBI Ontology
Outgoing Relation(s)
Corynesporol (CHEBI:212991) is a organic heterotricyclic compound (CHEBI:26979)
Corynesporol (CHEBI:212991) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4aR,10S,10aS)-3,10-dihydroxy-7,9-dimethoxy-3-methyl-4,4a,10,10a-tetrahydro-1H-benzo[g]isochromen-5-one
Manual XrefsDatabases
28284678ChemSpider