3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol (CHEBI:169621)

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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	3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol

ChEBI ID	CHEBI:169621

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O3

Net Charge

Average Mass

252.354

Monoisotopic Mass

252.17254

InChI

InChI=1S/C15H24O3/c1-12-6-4-10-8-15(12,11(16)5-7-12)14(3)17-9-13(10,2)18-14/h10-11,16H,4-9H2,1-3H3

InChIKey

LKEZYVLTHMLNIH-UHFFFAOYSA-N

SMILES

O1C2(OCC1(C3CC42C(CC3)(CCC4O)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

ChEBI Ontology
Outgoing	3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol (CHEBI:169621) is a oxacycle (CHEBI:38104)

IUPAC Name

5,9,12-trimethyl-11,14-dioxatetracyclo[6.4.1.19,12.01,5]tetradecan-2-ol