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CHEBI:229152 - L-3alpha,6beta-Ditigloyloxytropane

ChEBI IDCHEBI:229152
ChEBI NameL-3alpha,6beta-Ditigloyloxytropane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27NO4
Net Charge0
Average Mass321.417
Monoisotopic Mass321.19401
SMILESC/C=C(\C)C(=O)O[C@H]1CC2C[C@H](OC(=O)/C(C)=C/C)C(C1)N2C
InChIInChI=1S/C18H27NO4/c1-6-11(3)17(20)22-14-8-13-9-16(15(10-14)19(13)5)23-18(21)12(4)7-2/h6-7,13-16H,8-10H2,1-5H3/b11-6+,12-7+/t13?,14-,15?,16-/m0/s1
InChIKeyMJJVORBCNQQRMU-VZITZHEYSA-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)
L-3alpha,6beta-Ditigloyloxytropane (CHEBI:229152) is a tropane alkaloid (CHEBI:37332)
IUPAC Name 
[(3S,6S)-8-methyl-6-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
Manual XrefsDatabases
4475899ChemSpider