Mol:FL3FACNSS004
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0622 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0622 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0622 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0622 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6111 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6111 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1600 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1600 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1600 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1600 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6111 -0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6111 -0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2910 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2910 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7421 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7421 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7421 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7421 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2910 -0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2910 -0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2910 -1.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2910 -1.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6527 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6527 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1124 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1124 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1124 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1124 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6527 0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6527 0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6111 -2.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6111 -2.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6527 0.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6527 0.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7026 0.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7026 0.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2042 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2042 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2042 -0.4270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2042 -0.4270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7026 -0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7026 -0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7276 -0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7276 -0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2042 0.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2042 0.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3540 1.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3540 1.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6527 1.5530 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6527 1.5530 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6343 2.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6343 2.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0318 1.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0318 1.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 2 0 0 0 0 | + | 22 25 2 0 0 0 0 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 2 0 0 0 0 | + | 27 29 2 0 0 0 0 |
| − | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACNSS004 | + | ID FL3FACNSS004 |
| − | KNApSAcK_ID C00004331 | + | KNApSAcK_ID C00004331 |
| − | NAME Luteolin 7,3'-disulfate | + | NAME Luteolin 7,3'-disulfate |
| − | CAS_RN 59176-62-4 | + | CAS_RN 59176-62-4 |
| − | FORMULA C15H10O12S2 | + | FORMULA C15H10O12S2 |
| − | EXACTMASS 445.961367164 | + | EXACTMASS 445.961367164 |
| − | AVERAGEMASS 446.3647 | + | AVERAGEMASS 446.3647 |
| − | SMILES Oc(c3)c(cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O)OS(O)(=O)=O | + | SMILES Oc(c3)c(cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O)OS(O)(=O)=O |
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 31 0 0 0 0 0 0 0 0999 V2000
-1.0622 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0622 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6111 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1600 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1600 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6111 -0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2910 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7421 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7421 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2910 -0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2910 -1.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6527 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1124 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1124 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6527 0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6111 -2.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6527 0.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7026 0.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 -0.4270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.7026 -0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7276 -0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 0.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3540 1.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6527 1.5530 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.6343 2.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0318 1.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
16 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 2 0 0 0 0
24 1 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 2 0 0 0 0
19 27 1 0 0 0 0
S SKP 8
ID FL3FACNSS004
KNApSAcK_ID C00004331
NAME Luteolin 7,3'-disulfate
CAS_RN 59176-62-4
FORMULA C15H10O12S2
EXACTMASS 445.961367164
AVERAGEMASS 446.3647
SMILES Oc(c3)c(cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O)OS(O)(=O)=O
M END
