CHEBI:197925 - Kerriamycin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kerriamycin A
ChEBI ID CHEBI:197925
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C43H54O17
Net Charge 0
Average Mass 842.888
Monoisotopic Mass 842.33610
InChI InChI=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
InChIKey XRDAMDDZBYHZDC-OVVPFSOKSA-N
SMILES O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O[C@@H]5O[C@H]([C@@H](O)CC5)C)C(=O)C[C@@](O)(C)C4)O)[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](O)C(C8)=O)C)CC7)C)C
Metabolite of Species Details
Streptomyces violaceolatus (NCBI:txid67378) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78436297 ChemSpider
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