Mol:FL3FECNSS005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0165 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0165 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0165 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0165 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5654 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5654 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1143 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1143 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1143 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1143 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5654 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5654 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6633 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6633 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2122 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2122 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2122 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2122 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6633 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6633 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4916 -1.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4916 -1.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2387 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2387 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6984 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6984 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1581 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1581 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1581 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1581 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6984 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6984 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2387 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2387 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6984 0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6984 0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5654 -2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5654 -2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5312 -0.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5312 -0.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6863 1.5661 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6863 1.5661 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2021 1.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2021 1.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6863 2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6863 2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0048 1.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0048 1.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7309 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7309 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1094 0.3286 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1094 0.3286 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1094 0.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1094 0.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5938 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5938 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1094 -0.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1094 -0.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7309 -1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7309 -1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7088 -1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7088 -1.0094 0.0000 C 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 2 0 0 0 0 | + | 21 24 2 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 2 0 0 0 0 | + | 26 29 2 0 0 0 0 |
| − | 28 15 1 0 0 0 0 | + | 28 15 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -2.7309 -1.2183 | + | M SVB 1 32 -2.7309 -1.2183 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECNSS005 | + | ID FL3FECNSS005 |
| − | KNApSAcK_ID C00004402 | + | KNApSAcK_ID C00004402 |
| − | NAME 6-Methoxyluteolin 3',4'-disulfate | + | NAME 6-Methoxyluteolin 3',4'-disulfate |
| − | CAS_RN 111509-40-1 | + | CAS_RN 111509-40-1 |
| − | FORMULA C16H12O13S2 | + | FORMULA C16H12O13S2 |
| − | EXACTMASS 475.97193185000003 | + | EXACTMASS 475.97193185000003 |
| − | AVERAGEMASS 476.39068000000003 | + | AVERAGEMASS 476.39068000000003 |
| − | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)cc(OS(O)(=O)=O)c(c1)OS(O)(=O)=O | + | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)cc(OS(O)(=O)=O)c(c1)OS(O)(=O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.0165 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0165 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5654 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1143 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1143 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5654 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6633 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2122 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2122 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6633 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4916 -1.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2387 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6984 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1581 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1581 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6984 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2387 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6984 0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5654 -2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5312 -0.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 1.5661 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.2021 1.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0048 1.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7309 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1094 0.3286 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.1094 0.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5938 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1094 -0.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7309 -1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7088 -1.0094 0.0000 C 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
16 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
21 24 2 0 0 0 0
18 21 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
26 29 2 0 0 0 0
28 15 1 0 0 0 0
2 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -2.7309 -1.2183
S SKP 8
ID FL3FECNSS005
KNApSAcK_ID C00004402
NAME 6-Methoxyluteolin 3',4'-disulfate
CAS_RN 111509-40-1
FORMULA C16H12O13S2
EXACTMASS 475.97193185000003
AVERAGEMASS 476.39068000000003
SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)cc(OS(O)(=O)=O)c(c1)OS(O)(=O)=O
M END
