CHEBI:70680 - Euscaphic acid F

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ChEBI Name Euscaphic acid F
ChEBI ID CHEBI:70680
Definition A natural product found in Euscaphis japonica.
Stars This entity has been manually annotated by a third party.
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Download Molfile XML SDF
Formula C30H44O4
Net Charge 0
Average Mass 468.66800
Monoisotopic Mass 468.32396
InChI InChI=1S/C30H44O4/c1-17-7-11-28(24(33)34)13-14-30-16-29(30,22(28)18(17)2)12-9-21-26(5)15-19(31)23(32)25(3,4)20(26)8-10-27(21,30)6/h9,12,17,19-23,31-32H,2,7-8,10-11,13-16H2,1,3-6H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28+,29-,30-/m1/s1
InChIKey BHYFAPCVVRZAQZ-KYHYGKICSA-N
SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)C(=C)[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 F (CHEBI:70680) has role metabolite (CHEBI:25212)
Euscaphic acid F (CHEBI:70680) is a triterpenoid (CHEBI:36615)
Synonym Source
2alpha,3beta-dihydroxy-13alpha,27-cyclours-11,29-dien-28-oic acid ChEBI
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);