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CHEBI:211243 - Waldiomycin

ChEBI IDCHEBI:211243
ChEBI NameWaldiomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H38O13
Net Charge0
Average Mass702.709
Monoisotopic Mass702.23124
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)c2ccc4c(c2C3=O)C(=O)[C@@H](O)[C@](C)(O)C4)O[C@@H]1C
InChIInChI=1S/C38H38O13/c1-18-24(49-27(39)10-8-6-5-7-9-25-19(2)50-38(4,51-25)36(45)46)15-16-26(48-18)21-13-14-23-30(31(21)40)33(42)22-12-11-20-17-37(3,47)35(44)34(43)28(20)29(22)32(23)41/h5-14,18-19,24-26,35,40,44,47H,15-17H2,1-4H3,(H,45,46)/b6-5+,9-7+,10-8+/t18-,19+,24+,25+,26-,35-,37-,38+/m1/s1
InChIKeyLGLUNKKVFSUDLD-WUDSKPCRSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies MK844-mF10 (ncbitaxon:1213858) - PubMed (23632918)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Waldiomycin (CHEBI:211243) is a angucycline (CHEBI:48130)
IUPAC Name 
(2S,4S,5S)-2,4-dimethyl-5-[(1E,3E,5E)-7-[(2R,3S,6R)-2-methyl-6-[(2S,3R)-2,3,8-trihydroxy-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
59702732ChemSpider