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

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ChEBI Name Euscaphic acid A, (rel)-
ChEBI ID CHEBI:70675
Definition A natural product found in Euscaphis japonica.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000073168772
Download Molfile XML SDF
Formula C30H46O4
Net Charge 0
Average Mass 470.68380
Monoisotopic Mass 470.33961
InChI InChI=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
InChIKey BDOLMVCDVYAFEX-WUHNTGCUSA-N
SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)[C@@](C)(O)[C@@]53[H])C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C
Metabolite of Species Details
Euscaphis japonica (NCBI:txid210332) Found in twig (BTO:0001411). 95% ethanolic extract of twigs See: DOI
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 acid ChEBI
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);