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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      biological role 19822
        biochemical role 19533
          metabolite 19519
            eukaryotic metabolite 19342
              plant metabolite 17961
                spathodic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    main group molecular entity 19796
                      s-block molecular entity 19629
                        hydrogen molecular entity 19616
                          hydrides 19122
                            organic hydride 18693
                              organic fundamental parent 18693
                                hydrocarbon 18438
                                  terpene 14069
                                    terpenoid 13769
                                      triterpenoid 1206
                                        pentacyclic triterpenoid 471
                                          oleanolic acid 125
                                            spathodic acid 0
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