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(E)-DHB-MICROCYSTIN
SpectraBase Compound ID BdXl0XcyP1D
InChI InChI=1S/C49H74N10O12/c1-9-27(3)24-37-46(66)59-38(48(69)70)26-41(61)55-35(17-14-22-52-49(50)51)45(65)56-34(19-18-28(4)23-29(5)39(71-8)25-32-15-12-11-13-16-32)30(6)42(62)57-36(47(67)68)20-21-40(60)54-33(10-2)44(64)53-31(7)43(63)58-37/h10-13,15-16,18-19,23,27,29-31,34-39H,9,14,17,20-22,24-26H2,1-8H3,(H,53,64)(H,54,60)(H,55,61)(H,56,65)(H,57,62)(H,58,63)(H,59,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,28-23+,33-10-/t27-,29+,30-,31+,34-,35-,36+,37-,38+,39+/m0/s1
InChIKey CJBURLKHSGYKKJ-ASXZPXSWSA-N
Mol Weight 995.2 g/mol
Molecular Formula C49H74N10O12
Exact Mass 994.548768 g/mol
Enantiomer InChIKey CJBURLKHSGYKKJ-QMPZGKKSSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Title Journal or Book Year
A Dhb-microcystin from the filamentous cyanobacterium Planktothrix rubescens Phytochemistry 2004

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