CHEBI:70682 - Tormentic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Tormentic acid
ChEBI ID CHEBI:70682
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 C30H48O5
Net Charge 0
Average Mass 488.69910
Monoisotopic Mass 488.35017
InChI InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1
InChIKey OXVUXGFZHDKYLS-BLIWDXROSA-N
SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)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 Tormentic acid (CHEBI:70682) has role metabolite (CHEBI:25212)
Tormentic acid (CHEBI:70682) is a triterpenoid (CHEBI:36615)
Synonym Source
(2alpha,3beta)-2,3,19-Trihydroxyurs-12-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: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);