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MERRESECTINE_B
SpectraBase Compound ID DohUFy0KUI3
InChI InChI=1S/C31H45NO8/c1-17(2)6-8-19-12-21(30(37)38-24-14-22-10-11-23(15-24)32(22)5)13-20(9-7-18(3)4)29(19)40-31-28(36)27(35)26(34)25(16-33)39-31/h6-7,12-13,22-28,31,33-36H,8-11,14-16H2,1-5H3/t22-,23+,24-,25-,26-,27+,28-,31+/m0/s1
InChIKey PTOHHQZBABICAF-HTPJHVAZSA-N
Mol Weight 559.7 g/mol
Molecular Formula C31H45NO8
Exact Mass 559.314517 g/mol
Enantiomer InChIKey PTOHHQZBABICAF-OIWYWXFPSA-N
Unknown Identification

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