Mol:FL1DA9NN0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4197 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4197 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4197 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4197 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8657 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8657 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3117 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3117 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3117 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3117 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8657 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8657 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2420 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2420 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7945 -1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7945 -1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3458 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3458 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8960 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8960 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4344 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4344 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9727 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9727 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9727 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9727 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4344 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4344 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8960 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8960 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2420 -1.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2420 -1.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8657 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8657 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9735 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9735 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8717 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8717 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4432 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4432 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4432 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4432 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9832 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9832 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5231 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5231 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5231 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5231 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9832 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9832 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2776 -0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2776 -0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2776 0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2776 0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3117 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3117 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6945 0.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6945 0.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9727 1.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9727 1.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 19 6 1 0 0 0 0 | + | 19 6 1 0 0 0 0 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 19 1 0 0 0 0 | + | 28 19 1 0 0 0 0 |
| − | 27 29 2 0 0 0 0 | + | 27 29 2 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NN0002 | + | ID FL1DA9NN0002 |
| − | KNApSAcK_ID C00007970 | + | KNApSAcK_ID C00007970 |
| − | NAME Calomelanol C | + | NAME Calomelanol C |
| − | CAS_RN 137319-46-1 | + | CAS_RN 137319-46-1 |
| − | FORMULA C24H20O6 | + | FORMULA C24H20O6 |
| − | EXACTMASS 404.125988372 | + | EXACTMASS 404.125988372 |
| − | AVERAGEMASS 404.412 | + | AVERAGEMASS 404.412 |
| − | SMILES C(C(c(c24)c(cc(O)c(C(CC(=O)O4)c(c3)ccc(c3)O)2)O)=O)Cc(c1)cccc1 | + | SMILES C(C(c(c24)c(cc(O)c(C(CC(=O)O4)c(c3)ccc(c3)O)2)O)=O)Cc(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.4197 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4197 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8657 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3117 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3117 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8657 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2420 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7945 -1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3458 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8960 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4344 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9727 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9727 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4344 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8960 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2420 -1.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8657 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9735 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8717 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4432 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4432 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9832 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5231 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5231 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9832 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2776 -0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2776 0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3117 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6945 0.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9727 1.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 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 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
19 6 1 0 0 0 0
5 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 19 1 0 0 0 0
27 29 2 0 0 0 0
23 30 1 0 0 0 0
S SKP 8
ID FL1DA9NN0002
KNApSAcK_ID C00007970
NAME Calomelanol C
CAS_RN 137319-46-1
FORMULA C24H20O6
EXACTMASS 404.125988372
AVERAGEMASS 404.412
SMILES C(C(c(c24)c(cc(O)c(C(CC(=O)O4)c(c3)ccc(c3)O)2)O)=O)Cc(c1)cccc1
M END
