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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 A
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Accession:CHEBI:66811 term browser browse the term
Definition:A furanocoumarin that is 2H-furo[2,3-h]chromen-2-one substituted by a hydroxy group at position 5, 2-hydroxypropan-2-yl group at position 8, a 2-methylbutanoyl group at position 6 and a phenyl group at position 4. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line.
Synonyms:exact_synonym: 5-hydroxy-8-(2-hydroxypropan-2-yl)-6-[(2S)-2-methylbutanoyl]-4-phenyl-2H-furo[2,3-h]chromen-2-one
 related_synonym: 5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxobutyl)-4-phenyl-2H-furo[2',3':5,6]benzo[1,2-b]pyran-2-one;   Formula=C25H24O6;   InChI=1S/C25H24O6/c1-5-13(2)21(27)20-22(28)19-15(14-9-7-6-8-10-14)12-18(26)31-23(19)16-11-17(25(3,4)29)30-24(16)20/h6-13,28-29H,5H2,1-4H3/t13-/m0/s1;   InChIKey=LPGFEBXRFJLODR-ZDUSSCGKSA-N;   SMILES=CC[C@H](C)C(=O)c1c(O)c2c(cc(=O)oc2c2cc(oc12)C(C)(C)O)-c1ccccc1
 xref: PMID:12141854;   Reaxys:9304699


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Term Annotations click to browse term
  CHEBI ontology 19879
    role 19850
      biological role 19848
        biochemical role 19562
          metabolite 19550
            ochrocarpin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19879
    subatomic particle 19877
      composite particle 19877
        hadron 19877
          baryon 19877
            nucleon 19877
              atomic nucleus 19877
                atom 19877
                  main group element atom 19816
                    p-block element atom 19816
                      carbon group element atom 19756
                        carbon atom 19753
                          organic molecular entity 19753
                            organic molecule 19706
                              organic cyclic compound 19498
                                organic heterocyclic compound 18878
                                  organic heteropolycyclic compound 18305
                                    organic heterotricyclic compound 15863
                                      furochromene 135
                                        furanocoumarin 135
                                          ochrocarpin A 0
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