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APRATOXIN-B;MAJOR-CONFORMER
SpectraBase Compound ID 7KiY4BYWS1
InChI InChI=1S/C44H67N5O8S/c1-12-26(3)37-42(54)49-19-13-14-34(49)43(55)57-36(44(7,8)9)21-25(2)20-35(50)28(5)40-45-31(24-58-40)22-27(4)38(51)46-33(23-30-15-17-32(56-11)18-16-30)41(53)48(10)29(6)39(52)47-37/h15-18,22,25-26,28-29,31,33-37,50H,12-14,19-21,23-24H2,1-11H3,(H,46,51)(H,47,52)/b27-22+/t25-,26-,28-,29-,31-,33-,34-,35-,36-,37-/m0/s1
InChIKey ZSYPDXOLYNZQGO-RNTANXHRSA-N
Mol Weight 826.1 g/mol
Molecular Formula C44H67N5O8S
Exact Mass 825.471035 g/mol
Enantiomer InChIKey ZSYPDXOLYNZQGO-YTWPBHNOSA-N
Unknown Identification

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