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CHEBI:199186 - Kerriamycin C

ChEBI IDCHEBI:199186
ChEBI NameKerriamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H46O15
Net Charge0
Average Mass730.760
Monoisotopic Mass730.28367
SMILESC[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O)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]1C[C@@H](O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C37H46O15/c1-15-22(51-27-11-21(38)30(40)16(2)50-27)7-8-26(49-15)52-24-12-23(48-17(3)31(24)41)18-5-6-19-28(32(18)42)33(43)20-9-10-36(46)14-35(4,45)13-25(39)37(36,47)29(20)34(19)44/h5-6,9-10,15-17,21-24,26-27,30-31,38,40-42,45-47H,7-8,11-14H2,1-4H3/t15-,16+,17+,21+,22-,23+,24+,26-,27-,30+,31+,35-,36-,37-/m0/s1
InChIKeyYBDWXIVNZNQORW-XIWRCPAJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3839784)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Kerriamycin C (CHEBI:199186) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R,4aR,12bS)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
112735ChemSpider