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

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ChEBI Name 3,6-Ditigloyloxytropan-7-ol
ChEBI ID CHEBI:169768
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H27NO5
Net Charge 0
Average Mass 337.416
Monoisotopic Mass 337.18892
InChI InChI=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+
InChIKey FRQMNJFBOJQRAQ-JMQWPVDRSA-N
SMILES O(C1C2N(C(C1O)CC(OC(=O)/C(/C)=C/C)C2)C)C(=O)/C(/C)=C/C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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 Xrefs Databases
35032850 ChemSpider
HMDB0029325 HMDB
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