EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70676 - Euscaphic acid B

Default Structure
ChEBI IDCHEBI:70676
ChEBI NameEuscaphic acid B
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@]2(C)CC[C@H](O)[C@@]1(C)CO
InChIInChI=1S/C30H46O5/c1-18-6-12-28(23(33)34)14-15-30-16-29(30,22(28)27(18,5)35)13-8-20-24(2)10-9-21(32)25(3,17-31)19(24)7-11-26(20,30)4/h8,13,18-22,31-32,35H,6-7,9-12,14-17H2,1-5H3,(H,33,34)/t18-,19-,20-,21+,22-,24+,25+,26-,27-,28+,29-,30-/m1/s1
InChIKeyPDPWDXDUMOJUCT-UWQOUJQISA-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 B (CHEBI:70676) has role metabolite (CHEBI:25212)
Euscaphic acid B (CHEBI:70676) is a triterpenoid (CHEBI:36615)
Synonym  Source
3beta,19alpha,23-trihydroxy-13alpha,27-cyclours-11-en-28-oic acidChEBI