Mol:FL3FADNSS001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9088 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9088 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9088 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9088 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4577 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4577 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0066 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0066 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0066 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0066 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4577 0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4577 0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4444 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4444 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8955 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8955 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8955 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8955 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4444 0.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4444 0.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6161 -1.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6161 -1.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3464 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3464 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8061 -0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8061 -0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2658 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2658 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2658 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2658 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8061 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8061 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3464 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3464 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2658 0.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2658 0.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3589 0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3589 0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4577 -1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4577 -1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2829 0.1163 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2829 0.1163 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2829 0.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2829 0.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8561 0.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8561 0.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2829 -0.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2829 -0.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0359 1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0359 1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4243 2.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4243 2.3729 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 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 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 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 24 2 0 0 0 0 | + | 21 24 2 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 2.0359 1.4514 | + | M SVB 1 27 2.0359 1.4514 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FADNSS001 | + | ID FL3FADNSS001 |
| − | KNApSAcK_ID C00004356 | + | KNApSAcK_ID C00004356 |
| − | NAME Luteolin 3'-methyl ether 7-sulfate | + | NAME Luteolin 3'-methyl ether 7-sulfate |
| − | CAS_RN 60048-90-0 | + | CAS_RN 60048-90-0 |
| − | FORMULA C16H12O9S | + | FORMULA C16H12O9S |
| − | EXACTMASS 380.020202672 | + | EXACTMASS 380.020202672 |
| − | AVERAGEMASS 380.32708 | + | AVERAGEMASS 380.32708 |
| − | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O | + | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(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/
26 28 0 0 0 0 0 0 0 0999 V2000
-0.9088 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9088 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4577 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0066 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0066 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4577 0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4444 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8955 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8955 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4444 0.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6161 -1.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3464 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8061 -0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2658 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2658 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8061 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3464 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2658 0.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3589 0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4577 -1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2829 0.1163 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.2829 0.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8561 0.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2829 -0.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0359 1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4243 2.3729 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
18 15 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
19 21 1 0 0 0 0
21 24 2 0 0 0 0
16 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 2.0359 1.4514
S SKP 8
ID FL3FADNSS001
KNApSAcK_ID C00004356
NAME Luteolin 3'-methyl ether 7-sulfate
CAS_RN 60048-90-0
FORMULA C16H12O9S
EXACTMASS 380.020202672
AVERAGEMASS 380.32708
SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O
M END
