Mol:FL1DA9NN0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6446 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6446 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6446 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6446 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0906 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0906 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5365 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5365 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5365 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5365 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0906 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0906 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0172 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0172 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5697 -1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5697 -1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1210 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1210 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6712 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6712 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2095 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2095 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7479 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7479 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7479 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7479 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2095 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2095 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6712 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6712 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0172 -1.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0172 -1.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0906 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0906 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1983 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1983 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0965 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0965 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6681 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6681 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6681 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6681 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2080 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2080 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7479 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7479 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7479 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7479 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2080 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2080 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0528 -0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0528 -0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0528 0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0528 0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5365 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5365 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4697 0.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4697 0.8919 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NN0001 | + | ID FL1DA9NN0001 |
| − | KNApSAcK_ID C00007967 | + | KNApSAcK_ID C00007967 |
| − | NAME Calomelanol D-1 | + | NAME Calomelanol D-1 |
| − | CAS_RN 73810-61-4 | + | CAS_RN 73810-61-4 |
| − | FORMULA C24H20O5 | + | FORMULA C24H20O5 |
| − | EXACTMASS 388.13107375 | + | EXACTMASS 388.13107375 |
| − | AVERAGEMASS 388.4126 | + | AVERAGEMASS 388.4126 |
| − | SMILES C(C(c(c32)c(cc(c(C(c(c4)cccc4)CC(=O)O3)2)O)O)=O)Cc(c1)cccc1 | + | SMILES C(C(c(c32)c(cc(c(C(c(c4)cccc4)CC(=O)O3)2)O)O)=O)Cc(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.6446 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6446 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0906 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5365 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5365 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0906 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0172 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5697 -1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1210 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6712 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2095 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7479 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7479 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2095 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6712 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0172 -1.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0906 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1983 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0965 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6681 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6681 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2080 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7479 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7479 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2080 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0528 -0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0528 0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5365 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4697 0.8919 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
S SKP 8
ID FL1DA9NN0001
KNApSAcK_ID C00007967
NAME Calomelanol D-1
CAS_RN 73810-61-4
FORMULA C24H20O5
EXACTMASS 388.13107375
AVERAGEMASS 388.4126
SMILES C(C(c(c32)c(cc(c(C(c(c4)cccc4)CC(=O)O3)2)O)O)=O)Cc(c1)cccc1
M END
