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

ChEBI IDCHEBI:169621
ChEBI Name3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC12COC(C)(O1)C13CC2CCC1(C)CCC3O
InChIInChI=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
InChIKeyLKEZYVLTHMLNIH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
35013452ChemSpider
HMDB0032122HMDB