Mol:Corydaline
From Metabolomics.JP
(Difference between revisions)
(New page: ACD/Labs11200716082D 28 31 0 0 1 0 0 0 0 0 1 V2000 26.0052 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0052 -9.4141 0.0000 C 0 0 0 0 0 ...) |
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ACD/Labs11200716082D | ACD/Labs11200716082D | ||
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S SKP 5 | S SKP 5 | ||
ID Corydaline | ID Corydaline | ||
| − | FORMULA | + | FORMULA C22H27NO4 |
| − | EXACTMASS | + | EXACTMASS 369.194008357 |
| − | AVERAGEMASS | + | AVERAGEMASS 369.45412 |
| − | SMILES | + | SMILES COc(c4)c(OC)cc(c43)C([H])(N(CC3)1)C(C)c(c2)c(c(OC)c(OC)c2)C1 |
M END | M END | ||
Latest revision as of 11:11, 9 December 2009
ACD/Labs11200716082D 28 31 0 0 1 0 0 0 0 0 1 V2000 26.0052 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0052 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8533 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8533 -10.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7015 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7015 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3089 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3089 -9.4141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1569 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1569 -10.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6126 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6126 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4606 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4606 -10.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7645 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7645 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6126 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4608 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9165 -5.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6127 -4.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8532 -11.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5499 -10.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1569 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3088 -6.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3981 -9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7014 -12.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0682 -6.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7647 -3.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 12 11 1 0 0 0 0 14 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 7 1 0 0 0 0 16 15 1 0 0 0 0 11 16 2 0 0 0 0 18 17 1 0 0 0 0 13 11 1 0 0 0 0 13 18 2 0 0 0 0 15 19 1 0 0 0 0 17 15 2 0 0 0 0 17 20 1 0 0 0 0 21 4 1 0 0 0 0 6 4 1 0 0 0 0 22 6 1 0 0 0 0 9 23 1 6 0 0 0 7 24 1 1 0 0 0 22 25 1 0 0 0 0 21 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 S SKP 5 ID Corydaline FORMULA C22H27NO4 EXACTMASS 369.194008357 AVERAGEMASS 369.45412 SMILES COc(c4)c(OC)cc(c43)C([H])(N(CC3)1)C(C)c(c2)c(c(OC)c(OC)c2)C1 M END
