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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 19734
    role 19680
      application 19336
        anti-inflammatory agent 14947
          lupulin A 0
Path 2
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  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic group 18414
                              organic divalent group 18406
                                organodiyl group 18406
                                  carbonyl group 18295
                                    carbonyl compound 18295
                                      carboxylic acid 17963
                                        monocarboxylic acid 17265
                                          acetic acid 10649
                                            acetate ester 3373
                                              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.