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ONTOLOGY REPORT - ANNOTATIONS


Term:lupulin A
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Accession:CHEBI:66597 term browser browse the term
Definition:A diterpenoid isolated from Ajuga lupulina and has been shown to exhibit anti-inflammatory and antibacterial activities.
Synonyms:exact_synonym: (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5-[(2S,5R)-5-methoxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylbutanoate
 related_synonym: Formula=C30H46O11;   InChI=1S/C30H46O11/c1-8-15(2)26(34)41-25-20(33)12-21-28(6,22-10-19-11-24(35-7)40-27(19)39-22)16(3)9-23(38-18(5)32)29(21,13-36-17(4)31)30(25)14-37-30/h15-16,19-25,27,33H,8-14H2,1-7H3/t15?,16-,19?,20-,21-,22+,23+,24-,25+,27?,28+,29+,30-/m1/s1;   InChIKey=UEZOFWAZJUOMCN-HKDNVZQMSA-N;   SMILES=[H][C@]1(CC2C[C@H](OC)OC2O1)[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@]1([H])C[C@@H](O)[C@H](OC(=O)C(C)CC)[C@]21CO1
 xref: PMID:17191906 "Europe PMC";   PMID:19946570 "Europe PMC";   PMID:21073945 "Europe PMC";   PMID:8759163 "Europe PMC";   Reaxys:8528547 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 838
    role 815
      application 447
        anti-inflammatory agent 60
          lupulin A 0
Path 2
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  CHEBI ontology 838
    subatomic particle 822
      composite particle 822
        hadron 822
          baryon 822
            nucleon 822
              atomic nucleus 822
                atom 822
                  main group element atom 810
                    p-block element atom 807
                      carbon group element atom 778
                        carbon atom 774
                          organic molecular entity 774
                            organic group 358
                              organic divalent group 356
                                organodiyl group 356
                                  carbonyl group 355
                                    carbonyl compound 355
                                      carboxylic acid 242
                                        monocarboxylic acid 131
                                          acetic acid 41
                                            acetate ester 19
                                              lupulin A 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.