CHEBI:202987 - 9-O-methylscytalol A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 9-O-methylscytalol A
ChEBI ID CHEBI:202987
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H20O6
Net Charge 0
Average Mass 308.330
Monoisotopic Mass 308.12599
InChI InChI=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
InChIKey PTYCCMDOLVCXFB-XYJYNPGVSA-N
SMILES O=C1C2=C(OC)C=C(OC)C=C2[C@H](O)[C@H]3[C@H]1CO[C@@](C3)(O)C
Metabolite of Species Details
Corynespora (NCBI:txid59585) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78442558 ChemSpider
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