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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:isopatulin
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Accession:CHEBI:145111 term browser browse the term
Definition:A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 4 an 6 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. Also known as neopatulin, it is a mycotoxic substance produced by Aspergillus and Penicillium species.
Synonyms:exact_synonym: 6-hydroxy-4H-furo[3,2-c]pyran-2(6H)-one
 related_synonym: 3-hydroxy-4,9-dioxabicyclo[4.3.0]nona-1,6-dien-8-one;   Formula=C7H6O4;   InChI=1S/C7H6O4/c8-6-2-5-4(3-10-6)1-7(9)11-5/h1-2,6,8H,3H2;   InChIKey=ZGBMSNKHUHZKEP-UHFFFAOYSA-N;   SMILES=C=12C(OC(C1)=O)=CC(OC2)O;   neopatulin
 xref: CAS:70402-10-7;   MetaCyc:CPD-16725;   PMID:1518888;   PMID:19583231;   PMID:2605253;   PMID:30680886


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Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      biological role 19782
        antimicrobial agent 18141
          antibacterial agent 15616
            isopatulin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  ester 17332
                                    carboxylic ester 16714
                                      lactone 13224
                                        gamma-lactone 6851
                                          isopatulin 0
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