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CHEBI:200238 - Fradimycin B

ChEBI IDCHEBI:200238
ChEBI NameFradimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H38O14
Net Charge0
Average Mass718.708
Monoisotopic Mass718.22616
SMILESC[C@@H]1O[C@](C)(C(=O)O)O[C@H]1/C=C/C=C/C=C/C(=O)O[C@H]1CC[C@H](c2ccc3c(c2O)C(=O)c2cc(O)c4c(c2C3=O)C(=O)C(O)C(C)(O)C4)O[C@@H]1C
InChIInChI=1S/C38H38O14/c1-17-24(50-27(40)10-8-6-5-7-9-25-18(2)51-38(4,52-25)36(46)47)13-14-26(49-17)19-11-12-20-30(31(19)41)33(43)21-15-23(39)22-16-37(3,48)35(45)34(44)29(22)28(21)32(20)42/h5-12,15,17-18,24-26,35,39,41,45,48H,13-14,16H2,1-4H3,(H,46,47)/b6-5+,9-7+,10-8+/t17-,18+,24+,25+,26-,35?,37?,38+/m1/s1
InChIKeySBGGQXGOQWLPLU-JSBUERMESA-N
Species of MetaboliteComponentSourceComments
Streptomyces fradiae (ncbitaxon:1906) - PubMed (23203266)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Fradimycin B (CHEBI:200238) is a angucycline (CHEBI:48130)
IUPAC Name 
(2S,4S,5S)-2,4-dimethyl-5-[(1E,3E,5E)-7-[(2R,3S,6R)-2-methyl-6-(2,3,5,8-tetrahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl)oxan-3-yl]oxy-7-oxohepta-1,3,5-trienyl]-1,3-dioxolane-2-carboxylic acid
Manual XrefsDatabases
29215266ChemSpider