Mol:FL3FACNSS003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2538 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2538 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2538 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2538 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8027 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8027 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3517 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3517 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3517 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3517 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8027 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8027 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9006 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9006 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4495 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4495 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4495 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4495 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9006 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9006 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9006 -1.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9006 -1.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0014 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0014 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9208 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9208 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9208 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9208 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0014 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0014 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7733 0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7733 0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8027 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8027 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2967 0.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2967 0.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2967 1.0580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2967 1.0580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7982 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7982 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7733 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7733 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2967 1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2967 1.5323 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 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 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACNSS003 | + | ID FL3FACNSS003 |
| − | KNApSAcK_ID C00004330 | + | KNApSAcK_ID C00004330 |
| − | NAME Luteolin 4'-sulfate | + | NAME Luteolin 4'-sulfate |
| − | CAS_RN 60889-07-8 | + | CAS_RN 60889-07-8 |
| − | FORMULA C15H10O9S | + | FORMULA C15H10O9S |
| − | EXACTMASS 366.00455260800004 | + | EXACTMASS 366.00455260800004 |
| − | AVERAGEMASS 366.30050000000006 | + | AVERAGEMASS 366.30050000000006 |
| − | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(O)c(c2)OS(O)(=O)=O | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(O)c(c2)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/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.2538 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2538 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8027 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3517 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3517 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8027 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9006 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4495 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4495 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9006 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9006 -1.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0014 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9208 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9208 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0014 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7733 0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8027 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2967 0.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2967 1.0580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7982 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7733 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2967 1.5323 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
16 20 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
23 15 1 0 0 0 0
S SKP 8
ID FL3FACNSS003
KNApSAcK_ID C00004330
NAME Luteolin 4'-sulfate
CAS_RN 60889-07-8
FORMULA C15H10O9S
EXACTMASS 366.00455260800004
AVERAGEMASS 366.30050000000006
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(O)c(c2)OS(O)(=O)=O
M END
