Mol:BMCCCC--S529
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 1 0 0 0 0 0999 V2000 4.0691 -1.9106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4813 -2.7196 ...) |
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| Line 53: | Line 53: | ||
5 10 1 0 0 0 0 | 5 10 1 0 0 0 0 | ||
6 11 1 0 0 0 0 | 6 11 1 0 0 0 0 | ||
| − | S SKP | + | S SKP 7 |
| − | NAME | + | NAME [(2R,3S,4R,5S) -5- (5,6-Dimethylbenzimidazol-1-yl) -3,4-dihydroxyoxolan-2-yl] methyl dihydrogen phosphate |
| + | CAS_RN 975-91-7 | ||
ID BMCCCC--S529 | ID BMCCCC--S529 | ||
FORMULA C14H19N2O7P | FORMULA C14H19N2O7P | ||
EXACTMASS 358.09298748199996 | EXACTMASS 358.09298748199996 | ||
AVERAGEMASS 358.283701 | AVERAGEMASS 358.283701 | ||
| + | SMILES Cc(c3)c(C)cc(c32)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | ||
SMILES Cc(c3)c(C)cc(c32)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | SMILES Cc(c3)c(C)cc(c32)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | ||
M END | M END | ||
Latest revision as of 17:36, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 1 0 0 0 0 0999 V2000
4.0691 -1.9106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4813 -2.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0691 -3.5286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8862 -3.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7522 -3.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7522 -2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8862 -1.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0201 -2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0201 -3.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6182 -3.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6182 -1.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -0.9595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8090 -0.6505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8090 0.3495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7601 0.6585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0691 1.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3479 -0.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0472 1.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3563 2.7685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.3073 2.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4052 3.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6653 3.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
9 4 1 0 0 0 0
8 9 2 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 8 1 0 0 0 0
9 3 1 0 0 0 0
13 12 1 0 0 0 0
12 19 1 1 0 0 0
15 19 1 1 0 0 0
15 14 1 0 0 0 0
14 13 1 0 0 0 0
15 16 1 0 0 0 0
12 1 1 0 0 0 0
14 18 1 6 0 0 0
13 17 1 6 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
21 23 1 0 0 0 0
21 22 1 0 0 0 0
21 24 2 0 0 0 0
5 10 1 0 0 0 0
6 11 1 0 0 0 0
S SKP 7
NAME [(2R,3S,4R,5S) -5- (5,6-Dimethylbenzimidazol-1-yl) -3,4-dihydroxyoxolan-2-yl] methyl dihydrogen phosphate
CAS_RN 975-91-7
ID BMCCCC--S529
FORMULA C14H19N2O7P
EXACTMASS 358.09298748199996
AVERAGEMASS 358.283701
SMILES Cc(c3)c(C)cc(c32)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
SMILES Cc(c3)c(C)cc(c32)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
M END
