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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:12,13-dihydroxyfumitremorgin C
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Accession:CHEBI:72764 term browser browse the term
Definition:An indole alkaloid that is fumitremorgin C substituted at positions 12 and 13 by hydroxy groups.
Synonyms:exact_synonym: (5aR,6S,12S,14aS)-5a,6-dihydroxy-9-methoxy-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione
 related_synonym: 12alpha,13alpha-dihydroxyfumitremorgin C;   Formula=C22H25N3O5;   InChI=1S/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3/t15-,16-,19-,22+/m0/s1;   InChIKey=CPHRCQUGNAGVIB-FWJAZRMLSA-N;   SMILES=[H][C@@]12CCCN1C(=O)[C@]1(O)[C@@H](O)c3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O
 xref: CAS:111427-99-7;   HMDB:HMDB0038581;   PMID:19226505;   PMID:19763315;   PMID:22344914;   Reaxys:4727408


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Term Annotations click to browse term
  CHEBI ontology 19921
    role 19893
      biological role 19891
        inhibitor 18966
          breast cancer resistance protein inhibitor 0
            fumitremorgin C 0
              12,13-dihydroxyfumitremorgin C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      carbon group element atom 19804
                        carbon atom 19801
                          organic molecular entity 19801
                            heteroorganic entity 19558
                              organochalcogen compound 19317
                                organooxygen compound 19233
                                  ether 17330
                                    aromatic ether 16610
                                      fumitremorgin C 0
                                        12,13-dihydroxyfumitremorgin C 0
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