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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	L-3alpha,6beta-Ditigloyloxytropane

ChEBI ID	CHEBI:229152

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H27NO4

Net Charge

Average Mass

321.417

Monoisotopic Mass

321.19401

InChI

InChI=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

InChIKey

MJJVORBCNQQRMU-VZITZHEYSA-N

SMILES

O([C@@H]1C2N(C(C1)C[C@H](OC(=O)/C(/C)=C/C)C2)C)C(=O)/C(/C)=C/C

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome 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 )

ChEBI Ontology
Outgoing	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