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CHEBI:180610 - Terestigmine

ChEBI IDCHEBI:180610
ChEBI NameTerestigmine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H33N3O3
Net Charge0
Average Mass375.513
Monoisotopic Mass375.25219
SMILES[H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C
InChIInChI=1S/C21H33N3O3/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)27-19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21-/m0/s1
InChIKeyAFVACNVFXZVAEU-FPOVZHCZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
ChEBI Ontology
Outgoing Relation(s)
Terestigmine (CHEBI:180610) is a indoles (CHEBI:24828)
IUPAC Name 
[(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-heptylcarbamate
Manual XrefsDatabases
154828ChemSpider
Registry NumbersSources
CAS:147650-57-5ChemIDplus