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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:asprellic acid A
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Accession:CHEBI:65455 term browser browse the term
Definition:A pentacyclic triterpenoid that is the diester obtained by the global condensation of the hydroxy groups of (3beta)-3,27-dihydroxyolean-12-en-28-oic acid with trans-4-coumaric acid. It is isolated from the dried leaves of Ilex asprella and exhibits significant toxicity against KB (epidermoid carcinoma of the nasopharynx) and RPMI-7951 (melanoma) cell lines.
Synonyms:exact_synonym: (3beta)-3,27-bis{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}olean-12-en-28-oic acid
 related_synonym: 3,27-di-O-trans-p-coumaroyl-3beta,27-dihydroxy-olean-12-en-28-oic acid;   Formula=C48H60O8;   InChI=1S/C48H60O8/c1-43(2)25-26-47(42(53)54)27-28-48(30-55-40(51)19-11-31-7-13-33(49)14-8-31)35(36(47)29-43)17-18-38-45(5)23-22-39(44(3,4)37(45)21-24-46(38,48)6)56-41(52)20-12-32-9-15-34(50)16-10-32/h7-17,19-20,36-39,49-50H,18,21-30H2,1-6H3,(H,53,54)/b19-11+,20-12+/t36-,37-,38+,39-,45-,46+,47-,48-/m0/s1;   InChIKey=YBOIBOWMTWFCEG-MVYRAAOISA-N;   SMILES=[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(COC(=O)\\C=C\\c3ccc(O)cc3)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\\C=C\\c4ccc(O)cc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
 xref: CAS:152509-92-7;   PMID:8133297


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  CHEBI ontology 19844
    role 19820
      biological role 19818
        biochemical role 19525
          metabolite 19512
            asprellic acid A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbon oxoacid 18634
                                    carboxylic acid 18631
                                      monocarboxylic acid 18004
                                        alpha,beta-unsaturated monocarboxylic acid 13460
                                          cinnamic acids 2512
                                            hydroxycinnamic acid 1366
                                              monohydroxycinnamic acid 1024
                                                coumaric acid 39
                                                  4-coumaric acid 39
                                                    trans-4-coumaric acid 0
                                                      asprellic acid A 0
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