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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 22222
    chemical entity 22221
      group 22116
        inorganic group 21061
          oxo group 20215
            organic oxo compound 20215
              carbonyl compound 20215
                carboxylic ester 17404
                  pyripyropene I 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22222
    subatomic particle 22214
      composite particle 22214
        hadron 22214
          baryon 22214
            nucleon 22214
              atomic nucleus 22214
                atom 22214
                  main group element atom 22145
                    main group molecular entity 22145
                      s-block molecular entity 21736
                        hydrogen molecular entity 21648
                          hydrides 20784
                            organic hydride 20330
                              organic fundamental parent 20330
                                hydrocarbon 19912
                                  terpene 14766
                                    sesquiterpene 3289
                                      sesquiterpenoid 3289
                                        pyripyropene I 0
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