Mol:COX00099
From Metabolomics.JP
(Difference between revisions)
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− | 941651 | + | 941651 |
− | CDK 9/16/09,17:16 | + | CDK 9/16/09,17:16 |
− | + | ||
− | 59 62 0 0 0 0 0 0 0 0999 V2000 | + | 59 62 0 0 0 0 0 0 0 0999 V2000 |
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1 3 2 0 0 0 0 | 1 3 2 0 0 0 0 | ||
1 4 2 0 0 0 0 | 1 4 2 0 0 0 0 | ||
Line 124: | Line 124: | ||
30 58 1 0 0 0 0 | 30 58 1 0 0 0 0 | ||
30 59 1 0 0 0 0 | 30 59 1 0 0 0 0 | ||
− | S SKP | + | S SKP 6 |
− | NAME Thiothixene | + | NAME Thiothixene |
+ | ID COX00099 | ||
+ | FORMULA C23H29N3O2S2 | ||
+ | EXACTMASS 443.17011856700003 | ||
+ | AVERAGEMASS 443.62738 | ||
+ | SMILES [H]c(c([H])4)c([H])c(S1)c(c([H])4)C(=C([H])C([H])([H])C([H])([H])N(C([H])([H])3)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])3)c(c([H])2)c1c([H])c([H])c2S(=O)(=O)N(C([H])([H])[H])C([H])([H])[H] | ||
M END | M END |
Latest revision as of 20:48, 21 February 2011
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