CHEBI:9970 - Verticine

ChEBI IDCHEBI:9970
ChEBI NameVerticine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H45NO3
Net Charge0
Average Mass431.661
Monoisotopic Mass431.33994
SMILES[H][C@@]12CC[C@]3([H])[C@](C)(O)[C@]4([H])CC[C@H](C)CN4C[C@@]3([H])[C@]1([H])C[C@@]1([H])[C@@]2([H])C[C@H](O)[C@@]2([H])C[C@@H](O)CC[C@]12C
InChIInChI=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-/m0/s1
InChIKeyIUKLSMSEHKDIIP-BZMYINFQSA-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)
Verticine (CHEBI:9970) is a alkaloid (CHEBI:22315)
Synonyms  Source
VerticineKEGG COMPOUND
VerticineKEGG COMPOUND
Manual XrefsDatabases
C00002271KNApSAcK
C10830KEGG COMPOUND
Registry NumbersSources
CAS:23496-41-5KEGG COMPOUND