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CHEBI:70679 - Euscaphic acid E

Default Structure
ChEBI IDCHEBI:70679
ChEBI NameEuscaphic acid E
Stars
DefinitionA natural product found in Euscaphis japonica.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILES[H][C@]12C=C[C@]34C[C@]3(CC[C@@]3(C(=O)O)CC[C@@H](C)[C@H](C)[C@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)[C@H](O)C[C@]21C
InChIInChI=1S/C30H46O4/c1-17-7-11-28(24(33)34)13-14-30-16-29(30,22(28)18(17)2)12-9-21-26(5)15-19(31)23(32)25(3,4)20(26)8-10-27(21,30)6/h9,12,17-23,31-32H,7-8,10-11,13-16H2,1-6H3,(H,33,34)/t17-,18+,19-,20+,21-,22-,23+,26+,27-,28+,29-,30-/m1/s1
InChIKeyFDZUTRFWPZSBJC-ZPVDVGMHSA-N
Species of MetaboliteComponentSourceComments
Euscaphis japonica (ncbitaxon:210332) twig (BTO:0001411) DOI (10.1021/np1003593) 95% ethanolic extract of twigs
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)
Euscaphic acid E (CHEBI:70679) has role metabolite (CHEBI:25212)
Euscaphic acid E (CHEBI:70679) is a triterpenoid (CHEBI:36615)
Synonym  Source
2alpha,3beta-dihydroxy-13alpha,27-cyclours-11-en-28-oic acidChEBI