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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:gaudichaudiic acid F
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Accession:CHEBI:65950 term browser browse the term
Definition:An organic heteroheptacyclic compound isolated from the bark of Indonesian Garcinia gaudichaudii and exhibits cytotoxic activity.
Synonyms:exact_synonym: (2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7,11,12,12a,13-decahydro-3H,8bH-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid
 related_synonym: Formula=C40H50O9;   InChI=1S/C40H50O9/c1-11-36(5,6)28-32-25(21-17-19(3)13-14-23(21)37(7,8)47-32)29(41)26-30(42)27-31(46-12-2)22-18-24-38(9,10)49-39(34(22)43,16-15-20(4)35(44)45)40(24,27)48-33(26)28/h11,15,17,21-24,27,31,41H,1,12-14,16,18H2,2-10H3,(H,44,45)/b20-15+/t21?,22-,23?,24-,27?,31?,39-,40-/m1/s1;   InChIKey=DDXYKUAYCPOGSR-BJBPENEPSA-N;   SMILES=[H][C@]12C[C@]3([H])C(C)(C)O[C@](C\\C=C(/C)C(O)=O)(C1=O)[C@@]31Oc3c(C(=O)C1C2OCC)c(O)c1C2C=C(C)CCC2C(C)(C)Oc1c3C(C)(C)C=C
 xref: PMID:11101460;   Reaxys:8750194



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  CHEBI ontology 19810
    role 19759
      biological role 19759
        biochemical role 19379
          metabolite 19355
            gaudichaudiic acid F 0
Path 2
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  CHEBI ontology 19810
    subatomic particle 19809
      composite particle 19809
        hadron 19809
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19706
                    p-block element atom 19706
                      carbon group element atom 19628
                        carbon atom 19618
                          organic molecular entity 19618
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18668
                                    carbonyl compound 18668
                                      carboxylic acid 18365
                                        monocarboxylic acid 17634
                                          oxo monocarboxylic acid 6273
                                            gaudichaudiic acid F 0
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