Mol:FL3FECNSS004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2843 -0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2843 -0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2843 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2843 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8332 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8332 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3822 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3822 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3822 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3822 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8332 0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8332 0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0689 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0689 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5200 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5200 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5200 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5200 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0689 0.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0689 0.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2406 -1.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2406 -1.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9709 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9709 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4306 -0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4306 -0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8903 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8903 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8903 0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8903 0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4306 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4306 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9709 0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9709 0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4306 1.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4306 1.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4805 0.9212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4805 0.9212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8332 -1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8332 -1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7991 0.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7991 0.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7991 0.9267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7991 0.9267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2832 0.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2832 0.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7991 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7991 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4805 0.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4805 0.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9988 -0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9988 -0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9767 -0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9767 -0.3700 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 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 |
| − | 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 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -1.9988 -0.5789 | + | M SVB 1 28 -1.9988 -0.5789 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECNSS004 | + | ID FL3FECNSS004 |
| − | KNApSAcK_ID C00004401 | + | KNApSAcK_ID C00004401 |
| − | NAME 6-Methoxyluteolin 7-sulfate | + | NAME 6-Methoxyluteolin 7-sulfate |
| − | CAS_RN 111534-77-1 | + | CAS_RN 111534-77-1 |
| − | FORMULA C16H12O10S | + | FORMULA C16H12O10S |
| − | EXACTMASS 396.015117294 | + | EXACTMASS 396.015117294 |
| − | AVERAGEMASS 396.32648000000006 | + | AVERAGEMASS 396.32648000000006 |
| − | SMILES COc(c(O)1)c(cc(O2)c(C(=O)C=C2c(c3)cc(O)c(O)c3)1)OS(O)(=O)=O | + | SMILES COc(c(O)1)c(cc(O2)c(C(=O)C=C2c(c3)cc(O)c(O)c3)1)OS(O)(=O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.2843 -0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2843 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8332 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8332 0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0689 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5200 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5200 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0689 0.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2406 -1.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9709 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4306 -0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8903 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8903 0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4306 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9709 0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4306 1.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4805 0.9212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8332 -1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7991 0.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7991 0.9267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.2832 0.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7991 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4805 0.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9988 -0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9767 -0.3700 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
19 15 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
22 25 2 0 0 0 0
1 21 1 0 0 0 0
2 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.9988 -0.5789
S SKP 8
ID FL3FECNSS004
KNApSAcK_ID C00004401
NAME 6-Methoxyluteolin 7-sulfate
CAS_RN 111534-77-1
FORMULA C16H12O10S
EXACTMASS 396.015117294
AVERAGEMASS 396.32648000000006
SMILES COc(c(O)1)c(cc(O2)c(C(=O)C=C2c(c3)cc(O)c(O)c3)1)OS(O)(=O)=O
M END
