EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70675 - Euscaphic acid A, (rel)-

Default Structure
ChEBI IDCHEBI:70675
ChEBI NameEuscaphic acid A, (rel)-
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@@](C)(O)[C@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H46O4/c1-18-7-13-28(23(32)33)15-16-30-17-29(30,22(28)27(18,6)34)14-9-20-25(4)11-10-21(31)24(2,3)19(25)8-12-26(20,30)5/h9,14,18-22,31,34H,7-8,10-13,15-17H2,1-6H3,(H,32,33)/t18-,19+,20-,21+,22-,25+,26-,27-,28+,29-,30-/m1/s1
InChIKeyBDOLMVCDVYAFEX-WUHNTGCUSA-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 A, (rel)- (CHEBI:70675) has role metabolite (CHEBI:25212)
Euscaphic acid A, (rel)- (CHEBI:70675) is a triterpenoid (CHEBI:36615)
Synonym  Source
rel-3beta,19alpha-dihydroxy-13alpha,27-cyclours-11-en-28-oic acidChEBI