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PETUNIANINE C
SpectraBase Compound ID 1SBQ7eWXOqr
InChI InChI=1S/C36H49NO7/c1-20(29-18-34(6)32(3,4)43-36(42-29,44-34)22-9-8-14-37-19-22)25-10-11-26-31-27(12-13-33(25,26)5)35(7)23(16-28(31)40)15-24(39)17-30(35)41-21(2)38/h8-9,14-15,19-20,25-31,40H,10-13,16-18H2,1-7H3/t20-,25+,26+,27-,28+,29+,30-,31+,33+,34+,35-,36+/m1/s1
InChIKey UIYKJWQTWIRMPB-SIXFUISCSA-N
Mol Weight 607.8 g/mol
Molecular Formula C36H49NO7
Exact Mass 607.350903 g/mol
Enantiomer InChIKey UIYKJWQTWIRMPB-BDIKHKTHSA-N
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