Mol:Gingerol
From Metabolomics.JP
(Difference between revisions)
(New page: ACD/Labs11200718132D 21 21 0 0 1 0 0 0 0 0 1 V2000 23.9541 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9541 -6.7541 0.0000 C 0 0 0 0 0...) |
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Line 24: | Line 24: | ||
35.4722 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 35.4722 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
21.6503 -9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 21.6503 -9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
− | 2 1 1 0 0 0 0 | + | 2 1 1 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 4 1 0 0 0 0 | ||
+ | 6 5 2 0 0 0 0 | ||
+ | 1 7 1 0 0 0 0 | ||
+ | 7 8 1 0 0 0 0 | ||
+ | 8 9 1 0 0 0 0 | ||
+ | 9 10 1 0 0 0 0 | ||
+ | 10 11 1 0 0 0 0 | ||
+ | 11 12 1 0 0 0 0 | ||
+ | 9 13 2 0 0 0 0 | ||
+ | 11 14 1 1 0 0 0 | ||
+ | 6 15 1 0 0 0 0 | ||
+ | 4 16 1 0 0 0 0 | ||
+ | 12 17 1 0 0 0 0 | ||
+ | 17 18 1 0 0 0 0 | ||
+ | 18 19 1 0 0 0 0 | ||
+ | 19 20 1 0 0 0 0 | ||
+ | 21 16 1 0 0 0 0 | ||
+ | S SKP 5 | ||
+ | ID Gingerol | ||
+ | FORMULA C17H26O4 | ||
+ | EXACTMASS 294.18310931999997 | ||
+ | AVERAGEMASS 294.38593999999995 | ||
+ | SMILES CCCCCC(O)CC(=O)CCc(c1)cc(OC)c(O)c1 | ||
+ | M END |
Latest revision as of 15:18, 11 December 2009
ACD/Labs11200718132D 21 21 0 0 1 0 0 0 0 0 1 V2000 23.9541 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9541 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8022 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8022 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6504 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6504 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1059 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2577 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4095 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5613 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7132 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8650 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4095 -3.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7131 -3.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4986 -7.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8021 -8.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.0168 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1686 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3204 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4722 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6503 -9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 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 4 1 0 0 0 0 6 5 2 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 9 13 2 0 0 0 0 11 14 1 1 0 0 0 6 15 1 0 0 0 0 4 16 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 16 1 0 0 0 0 S SKP 5 ID Gingerol FORMULA C17H26O4 EXACTMASS 294.18310931999997 AVERAGEMASS 294.38593999999995 SMILES CCCCCC(O)CC(=O)CCc(c1)cc(OC)c(O)c1 M END