CHEBI:181139 - Duguetine

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ChEBI Name Duguetine
ChEBI ID CHEBI:181139
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H21NO5
Net Charge 0
Average Mass 355.390
Monoisotopic Mass 355.14197
InChI InChI=1S/C20H21NO5/c1-21-5-4-10-6-15-20(26-9-25-15)17-11-7-13(23-2)14(24-3)8-12(11)19(22)18(21)16(10)17/h6-8,18-19,22H,4-5,9H2,1-3H3/t18-,19-/m0/s1
InChIKey ZAVWGRCRKSHIMO-OALUTQOASA-N
SMILES O[C@@H]1[C@]2(N(CCC=3C2=C(C=4C1=CC(OC)=C(OC)C4)C=5OCOC5C3)C)[H]
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 Duguetine (CHEBI:181139) is a alkaloid (CHEBI:22315)
IUPAC Name
(12S,13S)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol