Microcystin-HtyR

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Systematic / IUPAC Name:

ID: Reference8283

Other Names:

Formula: C53H74N10O13

Class: Natural Toxins

Spectral Data

Microcystin-HtyR mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 345
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2018 7:59:02 AM
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Identificators

InChI InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30?,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
InChI Key YQFCSOPLXLDHPK-MYUJGGLFSA-N
Canonical SMILES O=C1CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N1C)C)CCc1ccc(O)cc1)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/C(C)[C@H](Cc1ccccc1)OC)/C)C)C(=O)O
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Other Names

In Other Databases

Wikipedia Microcystin