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CHEBI:216858 - Ochuscin E

ChEBI IDCHEBI:216858
ChEBI NameOchuscin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27NO8
Net Charge0
Average Mass433.457
Monoisotopic Mass433.17367
SMILESCOc1c(C)c(O)c(C(C)=O)c2c1[C@@]1(C)C(O)=C(C(C)=NCCO)C(=O)C[C@@]1(OC)O2
InChIInChI=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
InChIKeyRMRPETQNPMOSDW-FCHUYYIVSA-N
Species of MetaboliteComponentSourceComments
Scolecobasidium (ncbitaxon:37940) - DOI (10.1016/j.tet.2020.131066)
ChEBI Ontology
Outgoing Relation(s)
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