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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:lactiflorin
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Accession:CHEBI:132792 term browser browse the term
Definition:An organic heteropentacyclic compound with formula C23H26O10, isolated from several species of Paeoniae.
Synonyms:exact_synonym: [(2aR,3aR,4aR,5S,6S,7R,8aS,9aR,10aR,10bR)-5,6-dihydroxy-7-(hydroxymethyl)-3a-methyl-1-oxooctahydro-3aH,5H-3,4,8,9-tetraoxacyclobuta[1,6]pentaleno[1,2-b]naphthalen-10b(1H)-yl]methyl benzoate
 related_synonym: Formula=C23H26O10;   InChI=1S/C23H26O10/c1-21-23(33-20-18(32-21)17(27)16(26)14(9-24)30-20)8-12-13(25)7-15(31-21)22(12,23)10-29-19(28)11-5-3-2-4-6-11/h2-6,12,14-18,20,24,26-27H,7-10H2,1H3/t12-,14+,15+,16+,17-,18+,20-,21+,22-,23-/m0/s1;   InChIKey=AGRYIZUKIKYUFX-DNITZUGTSA-N;   SMILES=O1[C@@]2([H])[C@]3([C@]4(O[C@@]5(O[C@@H]([C@@H](O)[C@H](O)[C@]5(O[C@@]14C)[H])CO)[H])C[C@]3(C(C2)=O)[H])COC(C=6C=CC=CC6)=O
 xref: CAS:88623-95-4;   KNApSAcK:C00011060;   PMID:15015302;   PMID:15506284;   PMID:22190295;   PMID:22653868;   PMID:27796322;   PMID:8717280;   Pubchem:14605198;   Reaxys:22270746

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            eukaryotic metabolite 0
              plant metabolite 0
                lactiflorin 0
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  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
                                            lactiflorin 0
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