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CHEBI:221897 - Ankinomycin

ChEBI IDCHEBI:221897
ChEBI NameAnkinomycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H35NO9
Net Charge0
Average Mass589.641
Monoisotopic Mass589.23118
SMILESCc1cc2c(c3oc([C@@]4(C)O[C@H]4[C@@H]4O[C@H]4C)cc(=O)c13)C(=O)c1c(ccc([C@@H]3C[C@@](C)(N(C)C)[C@@H](O)[C@H](C)O3)c1O)C2=O
InChIInChI=1S/C33H35NO9/c1-13-10-18-24(29-22(13)19(35)11-21(42-29)33(5)31(43-33)28-14(2)41-28)27(38)23-17(25(18)36)9-8-16(26(23)37)20-12-32(4,34(6)7)30(39)15(3)40-20/h8-11,14-15,20,28,30-31,37,39H,12H2,1-7H3/t14-,15-,20-,28+,30-,31-,32+,33+/m0/s1
InChIKeyAQBUFJBHZGRZRV-OSCCGULGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2590276)
ChEBI Ontology
Outgoing Relation(s)
Ankinomycin (CHEBI:221897) is a anthraquinone (CHEBI:22580)
IUPAC Name 
10-[(2S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-11-hydroxy-5-methyl-2-[(2S,3S)-2-methyl-3-[(2R,3S)-3-methyloxiran-2-yl]oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
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78442964ChemSpider