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ONTOLOGY REPORT - ANNOTATIONS


Term:2-hydroxyrubiarbonone E
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Accession:CHEBI:69506 term browser browse the term
Definition:A pentacyclic triterpenoid of the class of arborinane-type terpenoids isolated from the roots of Rubia yunnanensis.
Synonyms:exact_synonym: (1R,3S,3aR,5aS,5bS,6S,7aR,11aR,13aR,13bR)-1,6,10-trihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,7a,8,11a,13,13a,13b-hexadecahydro-9H-cyclopenta[a]chrysen-9-one
 related_synonym: 2,7beta,19alpha,28-tetrahydroxyarbor-1,9(11)-dien-3-one;   Formula=C30H46O5;   InChI=1S/C30H46O5/c1-16(2)18-12-20(33)24-29(7)9-8-17-23(28(29,6)10-11-30(18,24)15-31)19(32)13-22-26(3,4)25(35)21(34)14-27(17,22)5/h8,14,16,18-20,22-24,31-34H,9-13,15H2,1-7H3/t18-,19-,20+,22-,23-,24+,27+,28-,29+,30+/m0/s1;   InChIKey=UHUNEDUYMMOJKF-MGCRBRERSA-N;   SMILES=CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)C(O)=C[C@]4(C)C3=CC[C@]21C
 xref: PMID:21973054;   Reaxys:22020817


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            2-hydroxyrubiarbonone E 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
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      ketone 0
                                        cyclic ketone 0
                                          alicyclic ketone 0
                                            cyclic terpene ketone 0
                                              2-hydroxyrubiarbonone E 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.