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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:3-O-trans-p-coumaroyl actinidic acid
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Accession:CHEBI:65661 term browser browse the term
Definition:A pentacyclic triterpenoid that is the cinnamate ester obtained by the formal condensation of the carboxy group of trans-4-coumaric acid with the hydroxy group at position 3 of actinidic acid (the 2alpha,3beta stereoisomer). It is isolated from the roots of Actinidia arguta and exhibits inhibitory activity towards pancreatic lipase.
Synonyms:exact_synonym: (2alpha,3beta)-2,23-dihydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ursa-12,20(30)-dien-28-oic acid
 related_synonym: 3beta-(trans-p-coumaroyl)oxy-2alpha,23-dihydroxyurs-12(13),20(30)-dien-28-oic acid;   Formula=C39H52O7;   InChI=1S/C39H52O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,24,28-30,32-33,40-42H,1,13,15-22H2,2-6H3,(H,44,45)/b14-9+/t24-,28+,29+,30+,32-,33-,35-,36-,37+,38+,39-/m0/s1;   InChIKey=IFPMSAOPSQVFLA-VYXVHPRESA-N;   SMILES=[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](OC(=O)\\C=C\\c1ccc(O)cc1)[C@@]2(C)CO
 xref: PMID:18481026


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Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      biological role 19764
        biochemical role 19313
          metabolite 19294
            3-O-trans-p-coumaroyl actinidic acid 0
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Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic group 18537
                              organic divalent group 18530
                                organodiyl group 18530
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18114
                                        monocarboxylic acid 17476
                                          alpha,beta-unsaturated monocarboxylic acid 11372
                                            cinnamic acids 2376
                                              hydroxycinnamic acid 1253
                                                monohydroxycinnamic acid 919
                                                  coumaric acid 30
                                                    4-coumaric acid 30
                                                      trans-4-coumaric acid 0
                                                        3-O-trans-p-coumaroyl actinidic acid 0
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