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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:spathodic acid
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Accession:CHEBI:69529 term browser browse the term
Definition:A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3, 19 and 24 (the 3beta,19alpha stereoisomer). It has been isolated from the roots of Rubia yunnanensis.
Synonyms:exact_synonym: 3beta,19alpha,24-trihydroxyolean-12-en-28-oic acid
 related_synonym: Formula=C30H48O5;   InChI=1S/C30H48O5/c1-25(2)13-15-30(24(34)35)16-14-28(5)18(22(30)23(25)33)7-8-20-26(3)11-10-21(32)27(4,17-31)19(26)9-12-29(20,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22-,23+,26+,27-,28-,29-,30+/m1/s1;   InChIKey=TUOYZAJHBIXONX-CGSJAQJOSA-N;   SMILES=CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O
 xref: PMID:21973054;   Reaxys:4277617



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  CHEBI ontology 19879
    role 19850
      biological role 19848
        biochemical role 19562
          metabolite 19550
            eukaryotic metabolite 19375
              plant metabolite 17993
                spathodic acid 0
Path 2
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  CHEBI ontology 19879
    subatomic particle 19877
      composite particle 19877
        hadron 19877
          baryon 19877
            nucleon 19877
              atomic nucleus 19877
                atom 19877
                  main group element atom 19816
                    main group molecular entity 19816
                      s-block molecular entity 19651
                        hydrogen molecular entity 19633
                          hydrides 19147
                            organic hydride 18697
                              organic fundamental parent 18697
                                hydrocarbon 18448
                                  terpene 14072
                                    terpenoid 13771
                                      triterpenoid 1237
                                        pentacyclic triterpenoid 491
                                          oleanolic acid 131
                                            spathodic acid 0
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