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MICROCYSTIN-YR
SpectraBase Compound ID JWXr0CC1LM1
InChI InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
InChIKey OWHASZQTEFAUJC-GJRPNUFSSA-N
Mol Weight 1045.2 g/mol
Molecular Formula C52H72N10O13
Exact Mass 1044.528032 g/mol
Enantiomer InChIKey OWHASZQTEFAUJC-SOTLPMBYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Title Journal or Book Year
Identification of microcystins in a Lake Victoria cyanobacterial bloom using LC–MS with thiol derivatization Toxicon 2013

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