Corynesporol (CHEBI:212991)

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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	Corynesporol

ChEBI ID	CHEBI:212991

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H20O6

Net Charge

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/h4-5,10-11,15,18-19H,6-7H2,1-3H3/t10-,11-,15+,16-/m1/s1

InChIKey

QZSXFCXNYYUIPY-NSLUBLRVSA-N

SMILES

O=C1C2=C(C(OC)=CC(=C2)OC)[C@@H](O)[C@H]3[C@H]1C[C@@](O)(C)OC3

Metabolite of Species	Details
Corynesporaspecies (NCBI:txid1906950)	See: PubMed

ChEBI Ontology
Outgoing	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