CHEBI:70678 - Euscaphic acid D

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ChEBI Name Euscaphic acid D
ChEBI ID CHEBI:70678
Definition A natural product found in Euscaphis japonica.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000096086436
Download Molfile XML SDF
Formula C30H46O5
Net Charge 0
Average Mass 486.68320
Monoisotopic Mass 486.33452
InChI InChI=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
InChIKey FJBWUBWZSSBDEN-CTCWFQGOSA-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)C[C@@H](O)[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 D (CHEBI:70678) has role metabolite (CHEBI:25212)
Euscaphic acid D (CHEBI:70678) is a triterpenoid (CHEBI:36615)
Synonyms Sources
2alpha,3beta,19alpha-trihydroxy-13alpha,27-cyclours-11-en-28-oic acid ChEBI
3beta-hydroxyeuscaphic acid C 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:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);