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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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Term Annotations click to browse term
  CHEBI ontology 26502
    role 26316
      biological role 26303
        antimicrobial agent 22500
          antifungal agent 20584
            ascochlorin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26502
    subatomic particle 26470
      composite particle 26478
        hadron 26478
          baryon 26478
            nucleon 26470
              atomic nucleus 26478
                atom 26478
                  main group element atom 26206
                    p-block element atom 26206
                      carbon group element atom 25649
                        carbon atom 25611
                          organic molecular entity 25611
                            heteroorganic entity 24992
                              organochalcogen compound 24589
                                organooxygen compound 24183
                                  carbon oxoacid 22806
                                    carboxylic acid 22786
                                      carboacyl group 20089
                                        univalent carboacyl group 20068
                                          formyl group 10017
                                            aldehyde 10017
                                              arenecarbaldehyde 144
                                                benzaldehydes 139
                                                  dihydroxybenzaldehyde 17
                                                    ascochlorin 0
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