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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:soyasapogenol E
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Accession:CHEBI:62444 term browser browse the term
Definition:A pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13, and is substituted by hydroxy groups at the 3beta and 24-positions, and by an oxo group at position 22.
Synonyms:exact_synonym: (3beta)-3,24-dihydroxyolean-12-en-22-one
 related_synonym: Formula=C30H48O3;   InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1;   InChIKey=FNRBOAGVUNHDIL-LMZUXBMISA-N;   SMILES=[H][C@@]12CC(C)(C)CC(=O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@@]12C
 xref: CAS:6750-59-0;   KEGG:C17420;   MetaCyc:CPD-9482;   PMID:10919372;   PMID:12172845;   Reaxys:5774990


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19761
    chemical entity 19761
      molecular entity 19759
        polyatomic entity 19677
          molecule 19523
            cyclic compound 19355
              polycyclic compound 18610
                organic polycyclic compound 16513
                  pentacyclic triterpenoid 359
                    soyasapogenol E 0
                      soyasapogenol E 3-O-beta-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    main group molecular entity 19653
                      s-block molecular entity 19418
                        hydrogen molecular entity 19411
                          hydrides 18751
                            organic hydride 18352
                              organic fundamental parent 18352
                                hydrocarbon 18071
                                  terpene 12603
                                    terpenoid 12165
                                      triterpenoid 686
                                        pentacyclic triterpenoid 359
                                          soyasapogenol E 0
                                            soyasapogenol E 3-O-beta-glucuronide 0
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