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CHEBI:229039 - 8-Methyllycoctonine

ChEBI IDCHEBI:229039
ChEBI Name8-Methyllycoctonine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H43NO7
Net Charge0
Average Mass481.630
Monoisotopic Mass481.30395
SMILESCCN1C[C@]2(CO)CCC(OC)C34C5CC6C(OC)C5[C@](OC)(C[C@@H]6OC)C(O)(C(OC)C32)C14
InChIInChI=1S/C26H43NO7/c1-7-27-12-23(13-28)9-8-17(31-3)25-15-10-14-16(30-2)11-24(34-6,18(15)19(14)32-4)26(29,22(25)27)21(33-5)20(23)25/h14-22,28-29H,7-13H2,1-6H3/t14?,15?,16-,17?,18?,19?,20?,21?,22?,23-,24+,25?,26?/m0/s1
InChIKeyZSZBLSHAQNIIEE-VTLHUVBLSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
8-Methyllycoctonine (CHEBI:229039) has functional parent aconitane (CHEBI:35911)
8-Methyllycoctonine (CHEBI:229039) is a diterpene alkaloid (CHEBI:23847)
IUPAC Name 
(6S,8R,13S)-11-ethyl-13-(hydroxymethyl)-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-9-ol