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CHEBI:70677 - Euscaphic acid C

Default Structure
ChEBI IDCHEBI:70677
ChEBI NameEuscaphic acid C
Stars
DefinitionA natural product found in Euscaphis japonica.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
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)[C@H](O)C[C@]21C
InChIInChI=1S/C30H46O5/c1-17-7-11-28(23(33)34)13-14-30-16-29(30,22(28)27(17,6)35)12-9-20-25(4)15-18(31)21(32)24(2,3)19(25)8-10-26(20,30)5/h9,12,17-22,31-32,35H,7-8,10-11,13-16H2,1-6H3,(H,33,34)/t17-,18-,19+,20-,21-,22-,25+,26-,27-,28+,29-,30-/m1/s1
InChIKeyFJBWUBWZSSBDEN-XVNGACRRSA-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 C (CHEBI:70677) has role metabolite (CHEBI:25212)
Euscaphic acid C (CHEBI:70677) is a triterpenoid (CHEBI:36615)
Synonyms  Source
2alpha,3alpha,19alpha-trihydroxy-13alpha,27-cyclours-11-en-28-oic acidChEBI
2alpha,3alpha-dihydroxyeuscaphic acid AChEBI