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CHEBI:169768 - 3,6-Ditigloyloxytropan-7-ol

ChEBI IDCHEBI:169768
ChEBI Name3,6-Ditigloyloxytropan-7-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27NO5
Net Charge0
Average Mass337.416
Monoisotopic Mass337.18892
SMILESC/C=C(\C)C(=O)OC1CC2C(O)C(OC(=O)/C(C)=C/C)C(C1)N2C
InChIInChI=1S/C18H27NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6-7,12-16,20H,8-9H2,1-5H3/b10-6+,11-7+
InChIKeyFRQMNJFBOJQRAQ-JMQWPVDRSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
3,6-Ditigloyloxytropan-7-ol (CHEBI:169768) is a tropane alkaloid (CHEBI:37332)
IUPAC Name 
[6-hydroxy-8-methyl-7-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
Manual XrefsDatabases
HMDB0029325HMDB
35032850ChemSpider