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CHEBI:191075 - Bulleyaconitine a

ChEBI IDCHEBI:191075
ChEBI NameBulleyaconitine a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H49NO9
Net Charge0
Average Mass627.775
Monoisotopic Mass627.34073
SMILESCCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6C(=O)c5ccc(OC)cc5)C(C(OC)C23)C14
InChIInChI=1S/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3
InChIKeyYRECILNLFWZVRM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
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)
Bulleyaconitine a (CHEBI:191075) has functional parent aconitane (CHEBI:35911)
Bulleyaconitine a (CHEBI:191075) is a diterpene alkaloid (CHEBI:23847)
IUPAC Name 
[11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate
Manual XrefsDatabases
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