CHEBI:216858 - Ochuscin E

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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 Ochuscin E
ChEBI ID CHEBI:216858
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H27NO8
Net Charge 0
Average Mass 433.457
Monoisotopic Mass 433.17367
InChI InChI=1S/C22H27NO8/c1-10-17(27)15(12(3)25)19-16(18(10)29-5)21(4)20(28)14(11(2)23-7-8-24)13(26)9-22(21,30-6)31-19/h24,27-28H,7-9H2,1-6H3/t21-,22+/m0/s1
InChIKey RMRPETQNPMOSDW-FCHUYYIVSA-N
SMILES O=C1C(=C(O)[C@@]2(C=3C(OC)=C(C)C(=C(C3O[C@@]2(C1)OC)C(=O)C)O)C)C(=NCCO)C
Metabolite of Species Details
Scolecobasidium (NCBI:txid37940) See: DOI
ChEBI Ontology
Outgoing Ochuscin E (CHEBI:216858) is a acetophenones (CHEBI:22187)
IUPAC Name
(4aR,9bS)-6-acetyl-1,7-dihydroxy-2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-4a,9-dimethoxy-8,9b-dimethyl-4H-dibenzouran-3-one