CHEBI:81366 - Zhebeinine

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ChEBI Name Zhebeinine
ChEBI ID CHEBI:81366
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H45NO3
Net Charge 0
Average Mass 431.65110
Monoisotopic Mass 431.33994
InChI InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21+,22+,23-,24+,25+,26-,27+/m1/s1
InChIKey IUKLSMSEHKDIIP-SWOAVMBCSA-N
SMILES C[C@@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@H](O)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O
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 Zhebeinine (CHEBI:81366) is a alkaloid (CHEBI:22315)
Manual Xref Database
C17881 KEGG COMPOUND
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Registry Number Type Source
135636-54-3 CAS Registry Number KEGG COMPOUND