CHEBI:181098 - 4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one

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ChEBI Name 4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one
ChEBI ID CHEBI:181098
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H23NO4
Net Charge 0
Average Mass 329.396
Monoisotopic Mass 329.16271
InChI InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3
InChIKey INYYVPJSBIVGPH-UHFFFAOYSA-N
SMILES O(C1=CC2C3(CCN(C2CC4=C3C(O)=C(OC)C=C4)C)CC1=O)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one (CHEBI:181098) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name
3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Manual Xref Database
368395 ChemSpider
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