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CHEBI:201869 - 4'-Acetylchrysomycin C

ChEBI IDCHEBI:201869
ChEBI Name4'-Acetylchrysomycin C
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SubmitterMetaboLights
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FormulaC30H32O10
Net Charge0
Average Mass552.576
Monoisotopic Mass552.19955
SMILESCCc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc(C3OC(C)C(OC(C)=O)C(C)(O)C3O)c21
InChIInChI=1S/C30H32O10/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/h8-13,26-28,32-33,35H,7H2,1-6H3
InChIKeyUEKURZCNWQBGRZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-Acetylchrysomycin C (CHEBI:201869) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(2R,3S,4S,5S,6S)-6-(8-ethyl-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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