EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69745 - 3-O-trans-p-coumaroyltormentic acid

Default Structure
ChEBI IDCHEBI:69745
ChEBI Name3-O-trans-p-coumaroyltormentic acid
Stars
DefinitionA natural product found in Ficus mucuso.
Last Modified22 September 2014
DownloadsMolfile
FormulaC39H54O7
Net Charge0
Average Mass634.854
Monoisotopic Mass634.38695
SMILES[H][C@]12CC=C3[C@@]4([H])[C@](C(=O)O)(CC[C@@H](C)[C@@]4(C)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)C[C@]21C
InChIInChI=1S/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1
InChIKeyBZORLJPADUHVJE-QWBBESJSSA-N
Species of MetaboliteComponentSourceComments
Ficus mucuso (ncbitaxon:309328) fruit (BTO:0000486) PubMed (21619045) Methanolic extract of air-dried and powdered figs(fruits)
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)
3-O-trans-p-coumaroyltormentic acid (CHEBI:69745) has role metabolite (CHEBI:25212)
3-O-trans-p-coumaroyltormentic acid (CHEBI:69745) is a triterpenoid (CHEBI:36615)
Synonym  Source
(2alpha,3beta)-2,19-Dihydroxy-3-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}urs-12-en-28-oic acidChEBI
Citations