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CHEBI:197925 - Kerriamycin A

ChEBI IDCHEBI:197925
ChEBI NameKerriamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H54O17
Net Charge0
Average Mass842.888
Monoisotopic Mass842.33610
SMILESC[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O[C@H]5CC[C@H](O)[C@H](C)O5)C(=O)C[C@](C)(O)C[C@@]4(O)C=C3)O[C@H](C)[C@H]2O)CC[C@@H]1O[C@H]1CC(=O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C43H54O17/c1-18-25(44)8-10-32(55-18)60-43-30(46)16-41(5,52)17-42(43,53)13-12-24-35(43)40(51)23-7-6-22(38(49)34(23)39(24)50)28-15-29(37(48)21(4)54-28)59-31-11-9-27(19(2)56-31)58-33-14-26(45)36(47)20(3)57-33/h6-7,12-13,18-21,25,27-29,31-33,36-37,44,47-49,52-53H,8-11,14-17H2,1-5H3/t18-,19-,20+,21+,25-,27-,28+,29+,31-,32-,33-,36+,37+,41-,42-,43-/m0/s1
InChIKeyXRDAMDDZBYHZDC-OVVPFSOKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceolatus (ncbitaxon:67378) - PubMed (3839784)
ChEBI Ontology
Outgoing Relation(s)
Kerriamycin A (CHEBI:197925) is a anthraquinone (CHEBI:22580)
Kerriamycin A (CHEBI:197925) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R,4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-[(2S,5R,6R)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-12b-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78436297ChemSpider