CHEBI:2887 - Aspidofractine

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ChEBI Name Aspidofractine
ChEBI ID CHEBI:2887
Stars This entity has been manually annotated by a third party.
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Formula C22H26N2O3
Net Charge 0
Average Mass 366.454
Monoisotopic Mass 366.19434
InChI InChI=1S/C22H26N2O3/c1-27-18(26)16-13-20-7-4-11-23-12-10-21(19(20)23)15-5-2-3-6-17(15)24(14-25)22(16,21)9-8-20/h2-3,5-6,14,16,19H,4,7-13H2,1H3/t16-,19-,20+,21+,22+/m0/s1
InChIKey XGYZDZNXCXHGBV-WVCANSMHSA-N
SMILES COC(=O)[C@@H]1C[C@]23CCCN4CC[C@]5([C@H]24)c2ccccc2N(C=O)[C@]15CC3
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Aspidofractine (CHEBI:2887) is a indole alkaloid (CHEBI:38958)
Aspidofractine (CHEBI:2887) is a methyl ester (CHEBI:25248)
Synonym Source
Aspidofractine KEGG COMPOUND
Manual Xref Database
C09040 KEGG COMPOUND
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Registry Number Type Source
2348-67-6 CAS Registry Number KEGG COMPOUND
Last Modified
09 March 2018