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Term:jadomycin A
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Accession:CHEBI:81887 term browser browse the term
Definition:A organic heteropentacyclic compound that is 1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridine which carries oxo groups at positions 2, 8 and 13, methyl group at position 5, hydroxy groups at positions 7 and 12, and a (2R)-butan-2-yl group at position 1. It is a mixture of epimers at the hemiaminal carbon (position 3a).
Synonyms:exact_synonym: (1S)-1-[(2S)-butan-2-yl]-7,12-dihydroxy-5-methyl-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridine-2,8,13(1H)-trione
 related_synonym: Formula=C24H21NO6;   InChI=1S/C24H21NO6/c1-4-11(3)19-24(30)31-23-13-8-10(2)9-15(27)16(13)18-20(25(19)23)22(29)17-12(21(18)28)6-5-7-14(17)26/h5-9,11,19,23,26-27H,4H2,1-3H3/t11-,19-,23-/m0/s1;   InChIKey=AVMSKCRHMKXYOO-ZSISJILLSA-N;   Jadomycin B aglycon;   SMILES=C1=CC(=C2C(=C1)C(C3=C(C2=O)N4C(C5=C3C(=CC(=C5)C)O)(OC([C@@]4([C@H](CC)C)[H])=O)[H])=O)O;   jadomycin B aglycone
 xref: KEGG:C18680;   MetaCyc:CPD-12938;   PMID:15070349;   PMID:15776503;   PMID:16468745;   PMID:23177193;   PMID:23670961;   PMID:24112541;   Reaxys:10732142

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  CHEBI ontology 19770
    chemical entity 19769
      molecular entity 19767
        polyatomic entity 19679
          heteroatomic molecular entity 19598
            hydroxides 19063
              organic hydroxy compound 18626
                phenols 18116
                  polyphenol 6657
                    jadomycin A 0
                      jadomycin B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    p-block element atom 19655
                      carbon group element atom 19548
                        carbon atom 19537
                          organic molecular entity 19537
                            organic group 18451
                              organic divalent group 18445
                                organodiyl group 18445
                                  carbonyl group 18346
                                    carbonyl compound 18346
                                      ketone 15978
                                        cyclic ketone 13458
                                          quinone 8238
                                            p-quinones 8139
                                              jadomycin A 0
                                                jadomycin B 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.