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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:alvaradoin I
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Accession:CHEBI:65394 term browser browse the term
Definition:A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
Synonyms:exact_synonym: (5R)-1-O-acetyl-3-O-(3-methylbut-2-enoyl)-5-[(9R)-4,5,9-trihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl]-alpha-L-lyxopyranose
 related_synonym: (10R)-C-(1-O-acetyl-3-O-senecioyl)-beta-L-lyxopyranosyl-1,8,10-trihydroxy-3-methylanthracen-9-one;   Formula=C27H28O11;   InChI=1S/C27H28O11/c1-11(2)8-18(31)37-24-22(33)25(38-26(23(24)34)36-13(4)28)27(35)14-6-5-7-16(29)19(14)21(32)20-15(27)9-12(3)10-17(20)30/h5-10,22-26,29-30,33-35H,1-4H3/t22-,23-,24-,25-,26-,27-/m1/s1;   InChIKey=CWTBVTWONZDFAF-ZRRJEQDASA-N;   SMILES=[H][C@]1(O[C@@H](OC(C)=O)[C@H](O)[C@H](OC(=O)C=C(C)C)[C@H]1O)[C@@]1(O)c2cccc(O)c2C(=O)c2c(O)cc(C)cc12
 xref: PMID:17552563;   Reaxys:11184551



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  CHEBI ontology 20057
    role 20023
      biological role 20010
        biochemical role 19662
          metabolite 19645
            alvaradoin I 0
Path 2
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  CHEBI ontology 20057
    subatomic particle 20056
      composite particle 20068
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19971
                    p-block element atom 19971
                      carbon group element atom 19889
                        carbon atom 19894
                          organic molecular entity 19882
                            organic group 18982
                              organic divalent group 18968
                                organodiyl group 18968
                                  carbonyl group 18923
                                    carbonyl compound 18923
                                      carboxylic acid 18620
                                        monocarboxylic acid 17854
                                          fatty acid 16475
                                            unsaturated fatty acid 969
                                              monounsaturated fatty acid 452
                                                butenoic acid 31
                                                  2-butenoic acid 31
                                                    3-methylbut-2-enoic acid 0
                                                      alvaradoin I 0
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