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CHEBI:226449 - 4'-acetylchrysomycin B

ChEBI IDCHEBI:226449
ChEBI Name4'-acetylchrysomycin B
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SubmitterMetaboLights
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FormulaC29H30O10
Net Charge0
Average Mass538.549
Monoisotopic Mass538.18390
SMILESCOc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@@](C)(O)[C@H]3O)ccc(O)c12
InChIInChI=1S/C29H30O10/c1-12-9-17-21(19(10-12)35-5)16-11-20(36-6)23-18(31)8-7-15(22(23)24(16)39-28(17)33)25-26(32)29(4,34)27(13(2)37-25)38-14(3)30/h7-11,13,25-27,31-32,34H,1-6H3/t13-,25+,26+,27+,29+/m1/s1
InChIKeyMOICNMDKCPHILF-AQGXNSSESA-N
ChEBI Ontology
Outgoing Relation(s)
4'-acetylchrysomycin B (CHEBI:226449) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxonaphtho[1,2-c]isochromen-4-yl)-2,4-dimethyloxan-3-yl] acetate
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