CHEBI:182171 - Allopumiliotoxin 267a

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Allopumiliotoxin 267a
ChEBI ID CHEBI:182171
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H29NO2
Net Charge 0
Average Mass 267.413
Monoisotopic Mass 267.21983
InChI InChI=1S/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10+/t12-,14+,15-,16-/m1/s1
InChIKey LWXKAVPXEDNHLL-VRUXTKGDSA-N
SMILES O[C@@]1([C@]2(N(CCC2)C\C(\[C@H]1O)=C/[C@@H](CCCC)C)[H])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 Allopumiliotoxin 267a (CHEBI:182171) is a alkaloid (CHEBI:22315)
IUPAC Name
(6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
Manual Xrefs Databases
4580699 ChemSpider
C20034 KEGG COMPOUND
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Registry Number Type Source
73376-38-2 CAS Registry Number ChemIDplus