CHEBI:80672 - (S)-Autumnaline

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ChEBI Name (S)-Autumnaline
ChEBI ID CHEBI:80672
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H27NO5
Net Charge 0
Average Mass 373.44280
Monoisotopic Mass 373.18892
InChI InChI=1S/C21H27NO5/c1-22-8-7-14-11-19(25-2)17(23)12-15(14)16(22)6-5-13-9-18(24)21(27-4)20(10-13)26-3/h9-12,16,23-24H,5-8H2,1-4H3/t16-/m0/s1
InChIKey GZUNPCNPOLOTLX-INIZCTEOSA-N
SMILES COc1cc2CCN(C)[C@@H](CCc3cc(O)c(OC)c(OC)c3)c2cc1O
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 (S)-Autumnaline (CHEBI:80672) is a isoquinoline alkaloid (CHEBI:24921)
Synonym Source
Autumnaline KEGG COMPOUND
Manual Xref Database
C16707 KEGG COMPOUND
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Registry Number Type Source
23068-65-7 CAS Registry Number KEGG COMPOUND