SpectraBase Compound ID | 6R59ASxMHLL |
---|---|
InChI | InChI=1S/C21H23Br4N3O9S.Na/c1-35-18-13(24)7-21(19(30)16(18)25)8-14(28-37-21)20(31)26-3-2-4-36-17-11(22)5-10(6-12(17)23)15(29)9-27-38(32,33)34;/h5-7,15,19,27,29-30H,2-4,8-9H2,1H3,(H,26,31)(H,32,33,34);/q;+1/p-1/t15?,19-,21+;/m0./s1 |
InChIKey | BPAZDHJVRSMTSY-NLIVQCERSA-M |
Mol Weight | 835.08 g/mol |
Molecular Formula | C21H22Br4N3NaO9S |
Exact Mass | 830.770797 g/mol |
Parent InChIKey | SLHCHXOGYRNKME-PLIICFKJSA-M |
Enantiomer InChIKey | BPAZDHJVRSMTSY-FYNYRUMWSA-M |
Title | Journal or Book | Year |
---|---|---|
FTICR-MS and LC-UV/MS-SPE-NMR Applications for the Rapid Dereplication of a Crude Extract from the Sponge Ianthella flabelliformis | Journal of Natural Products | 2009 |
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