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CHEBI:67438 - taraxasterol acetate

Default Structure
ChEBI IDCHEBI:67438
ChEBI Nametaraxasterol acetate
Stars
DefinitionA natural product found in Eupatorium cannabinum subspecies asiaticum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H52O2
Net Charge0
Average Mass468.766
Monoisotopic Mass468.39673
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(C)CCC(=C)[C@@H](C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(C)=O)CC[C@]21C
InChIInChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h21,23-27H,1,10-19H2,2-9H3/t21-,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1
InChIKeySFEUTIOWNUGQMZ-ZHLOSDGBSA-N
Species of MetaboliteComponentSourceComments
Eupatorium cannabinum subsp. asiaticum (ncbitaxon:102770) aerial part (BTO:0001658) PubMed (21391659) MeOH extract of shade-dried, pulverized aerial parts
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)
taraxasterol acetate (CHEBI:67438) has role metabolite (CHEBI:25212)
taraxasterol acetate (CHEBI:67438) is a triterpenoid (CHEBI:36615)
Synonyms  Source
(3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetateChEBI
LactuconChEBI
Manual XrefsDatabases
0006426433ChemIDplus
Citations