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CHEBI:224223 - Konamycin A

ChEBI IDCHEBI:224223
ChEBI NameKonamycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30O13
Net Charge0
Average Mass598.557
Monoisotopic Mass598.16864
SMILESCC(=O)O[C@H]1C2=C3C(=O)c4ccc([C@H]5CC[C@H](O)[C@@H](C)O5)c(O)c4C(O)=C3C=C2C(=O)[C@@](C)(O)[C@@H]1OC(=O)CCC(=O)O
InChIInChI=1S/C30H30O13/c1-11-17(32)6-7-18(41-11)13-4-5-14-23(24(13)36)26(38)15-10-16-22(21(15)25(14)37)27(42-12(2)31)29(30(3,40)28(16)39)43-20(35)9-8-19(33)34/h4-5,10-11,17-18,27,29,32,36,38,40H,6-9H2,1-3H3,(H,33,34)/t11-,17+,18-,27+,29-,30-/m1/s1
InChIKeySSXGBMNAJWFAPL-MWHOOBBQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31181919)
ChEBI Ontology
Outgoing Relation(s)
Konamycin A (CHEBI:224223) is a naphthols (CHEBI:25392)
IUPAC Name 
4-[[(2S,3R,4S)-4-acetyloxy-2,9,10-trihydroxy-8-[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]-2-methyl-1,5-dioxo-3,4-dihydrobenzo[b]luoren-3-yl]oxy]-4-oxobutanoic acid