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CHEBI:202987 - 9-O-methylscytalol A

ChEBI IDCHEBI:202987
ChEBI Name9-O-methylscytalol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESCOc1cc(OC)c2c(c1)[C@H](O)[C@@H]1C[C@@](C)(O)OC[C@H]1C2=O
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/h4-5,10-11,14,17,19H,6-7H2,1-3H3/t10-,11-,14+,16+/m1/s1
InChIKeyPTYCCMDOLVCXFB-XYJYNPGVSA-N
Species of MetaboliteComponentSourceComments
Corynespora (ncbitaxon:59585) - PubMed (20521776)
ChEBI Ontology
Outgoing Relation(s)
9-O-methylscytalol A (CHEBI:202987) is a organic heterotricyclic compound (CHEBI:26979)
9-O-methylscytalol A (CHEBI:202987) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,4aR,5R,10aS)-3,5-dihydroxy-7,9-dimethoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one
Manual XrefsDatabases
78442558ChemSpider