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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:ascochlorin
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Accession:CHEBI:156219 term browser browse the term
Definition:A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a (1E,3E)-3-methyl-1-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-1,3-dien-5-yl group at position 3, chlorine at position 5, and a methyl group at position 6. A meroterpenoid produced by several fungi including Ascochyta viciae . It exhibits anticancer, antifungal and antiprotozoal activities.
Synonyms:exact_synonym: 3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde
 related_synonym: Formula=C23H29ClO4;   InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1;   InChIKey=SETVRSKZJJWOPA-FLDGXQSCSA-N;   LL-Z 1272 gamma;   SMILES=C1(=C(C(=C(C(=C1Cl)C)C([H])=O)O)C/C=C(/C=C/[C@@]2([C@H](C(=O)CC[C@H]2C)C)C)\\C)O;   antibiotic LL-Z1272 gamma;   antibiotic LL-Z1272gamma;   ilicicolin D
 xref: CAS:26166-39-2;   KNApSAcK:C00018754;   PDBeChem:3H1;   PMID:11029223;   PMID:11374942;   PMID:19253369;   PMID:20025846;   PMID:20558137;   PMID:21947785;   PMID:22109717;   PMID:25624051;   PMID:28427561;   PMID:28569433;   PMID:28833404;   PMID:30900461;   PMID:30952781;   PMID:31028855
 cyclic_relationship: is_conjugate_acid_of CHEBI:146157

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  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          antifungal agent 0
            ascochlorin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          formyl group 0
                                            aldehyde 0
                                              arenecarbaldehyde 0
                                                benzaldehydes 0
                                                  dihydroxybenzaldehyde 0
                                                    ascochlorin 0
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