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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:paeoniflorigenone
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Accession:CHEBI:132788 term browser browse the term
Definition:A terpenoid with formula C17H18O6, isolated from several species of Paeoniae.
Synonyms:exact_synonym: [(2S,3aR,5R,7aS,8S)-3a-hydroxy-7a-methyl-6-oxohexahydro-2H-2,5-methano-1,3-benzodioxol-8-yl]methyl benzoate
 related_synonym: Formula=C17H18O6;   InChI=1S/C17H18O6/c1-16-8-13(18)11-7-17(16,20)23-15(22-16)12(11)9-21-14(19)10-5-3-2-4-6-10/h2-6,11-12,15,20H,7-9H2,1H3/t11-,12-,15+,16+,17-/m1/s1;   InChIKey=BANPEMKDTXIFRE-LQPBRMSDSA-N;   SMILES=C1([C@@]2(C[C@@]3([C@](C1)(O[C@@](O3)([C@@H]2COC(C=4C=CC=CC4)=O)[H])C)O)[H])=O
 alt_id: CHEBI:69582
 xref: CAS:80454-42-8;   KEGG:C17453;   KNApSAcK:C00010954;   PMID:12064719;   PMID:17260795;   PMID:19772486;   PMID:20824965;   PMID:21954959;   PMID:23738461;   PMID:24956818;   PMID:6471620;   PMID:6521072;   PMID:8717280;   PMID:9548873;   Reaxys:7042298


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  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            neuromuscular agent 0
              paeoniflorigenone 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
                                      aromatic carboxylic acid 0
                                        benzoic acids 0
                                          benzoate ester 0
                                            paeoniflorigenone 0
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