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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:ochrocarpin F
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Accession:CHEBI:66816 term browser browse the term
Definition:A furanocoumarin that has formula C24H30O8.
Synonyms:exact_synonym: (1S)-1-{5-hydroxy-8-(2-hydroxypropan-2-yl)-6-[(2S)-2-methylbutanoyl]-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-4-yl}propyl acetate
 related_synonym: 8,9-dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxobutyl)-4-(1S-acetoxypropyl)-2H-furo[2',3':5,6]benzo[1,2-b]pyran-2-one;   Formula=C24H30O8;   InChI=1S/C24H30O8/c1-7-11(3)20(27)19-21(28)18-13(15(8-2)30-12(4)25)10-17(26)32-22(18)14-9-16(24(5,6)29)31-23(14)19/h10-11,15-16,28-29H,7-9H2,1-6H3/t11-,15-,16?/m0/s1;   InChIKey=VBJCSMQHVABALD-QUJPKXGGSA-N;   SMILES=CC[C@H](C)C(=O)c1c(O)c2c(cc(=O)oc2c2CC(Oc12)C(C)(C)O)[C@H](CC)OC(C)=O
 xref: PMID:12141854;   Reaxys:9307643


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19814
      biological role 19812
        biochemical role 19522
          metabolite 19509
            ochrocarpin F 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      carbon group element atom 19734
                        carbon atom 19731
                          organic molecular entity 19731
                            heteroorganic entity 19488
                              organochalcogen compound 19251
                                organooxygen compound 19168
                                  carbon oxoacid 18637
                                    carboxylic acid 18634
                                      monocarboxylic acid 18006
                                        acetic acid 11056
                                          acetate ester 4057
                                            ochrocarpin F 0
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