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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:pyripyropene I
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Accession:CHEBI:66794 term browser browse the term
Definition:A sesquiterpenoid that consists of a heterotetracyclic system linked to a pyridine moiety. Isolated from the fungus, Aspergillus fumigatus, it exhibits inhibitory activity against acyl-CoA:cholesterol acyltransferase 2.
Synonyms:exact_synonym: (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-4-[(propanoyloxy)methyl]-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,6-diyl dipropanoate
 related_synonym: Formula=C34H43NO10;   InChI=1S/C34H43NO10/c1-7-25(36)41-18-33(5)22-16-24(44-27(38)9-3)34(6)30(32(22,4)13-12-23(33)43-26(37)8-2)29(39)28-21(45-34)15-20(42-31(28)40)19-11-10-14-35-17-19/h10-11,14-15,17,22-24,29-30,39H,7-9,12-13,16,18H2,1-6H3/t22-,23+,24+,29+,30-,32+,33+,34-/m1/s1;   InChIKey=BEQWYQUVYKTZHJ-FRXPNXMYSA-N;   SMILES=CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)CC)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CC
 xref: PMID:7622436;   Reaxys:7327101


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Term Annotations click to browse term
  CHEBI ontology 5162
    chemical entity 5162
      group 5141
        inorganic group 4938
          oxo group 4740
            organic oxo compound 4740
              carbonyl compound 4740
                carboxylic ester 511
                  pyripyropene I 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5162
    subatomic particle 5153
      composite particle 5141
        hadron 5141
          baryon 5153
            nucleon 5141
              atomic nucleus 5153
                atom 5141
                  main group element atom 5125
                    main group molecular entity 5113
                      s-block molecular entity 5057
                        hydrogen molecular entity 5039
                          hydrides 4660
                            organic hydride 4525
                              organic fundamental parent 4525
                                hydrocarbon 4478
                                  terpene 4411
                                    sesquiterpene 4387
                                      sesquiterpenoid 4398
                                        pyripyropene I 0
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