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CHEBI:226444 - 4'-acetylchrysomycin A

ChEBI IDCHEBI:226444
ChEBI Name4'-acetylchrysomycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30O10
Net Charge0
Average Mass550.560
Monoisotopic Mass550.18390
SMILESC=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@@](C)(O)[C@H]3O)c21
InChIInChI=1S/C30H30O10/c1-7-15-10-18-22(20(11-15)36-5)17-12-21(37-6)24-19(32)9-8-16(23(24)25(17)40-29(18)34)26-27(33)30(4,35)28(13(2)38-26)39-14(3)31/h7-13,26-28,32-33,35H,1H2,2-6H3/t13-,26+,27+,28+,30+/m1/s1
InChIKeyLTQMETLCTOYANG-RJGDZKQVSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-acetylchrysomycin A (CHEBI:226444) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5S,6S)-6-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-4,5-dihydroxy-2,4-dimethyloxan-3-yl] acetate
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