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CHEBI:182171 - Allopumiliotoxin 267a

ChEBI IDCHEBI:182171
ChEBI NameAllopumiliotoxin 267a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H29NO2
Net Charge0
Average Mass267.413
Monoisotopic Mass267.21983
SMILES[H][C@@]12CCCN1C/C(=C\[C@H](C)CCCC)[C@@H](O)[C@]2(C)O
InChIInChI=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
InChIKeyLWXKAVPXEDNHLL-VRUXTKGDSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
4580699ChemSpider
C20034KEGG COMPOUND
Registry NumbersSources
CAS:73376-38-2ChemIDplus