Mol:FL5FCCNSS003
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 |
| − | 1.5065 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5065 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7921 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7921 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7921 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7921 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5065 2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5065 2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2210 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2210 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2210 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2210 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0776 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0776 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6369 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6369 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3514 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3514 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3514 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3514 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6369 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6369 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0776 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0776 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0658 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0658 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7803 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7803 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7803 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7803 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0658 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0658 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6369 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6369 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4948 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4948 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7921 -0.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7921 -0.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0658 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0658 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9355 2.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9355 2.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9834 0.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9834 0.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1909 0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1909 0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5818 0.2619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5818 0.2619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1909 0.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1909 0.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5805 -0.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5805 -0.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5831 0.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5831 0.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7921 -1.4423 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7921 -1.4423 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3319 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3319 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1764 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1764 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7921 -2.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7921 -2.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
| − | 24 27 2 0 0 0 0 | + | 24 27 2 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 28 30 2 0 0 0 0 | + | 28 30 2 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCCNSS003 | + | ID FL5FCCNSS003 |
| − | KNApSAcK_ID C00013909 | + | KNApSAcK_ID C00013909 |
| − | NAME Quercetin 7-methyl ether 3,3'-disulfate;Rhamnetin 3,3'-disulfate;5-Hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-methoxy-3-(sulfooxy)-4H-1-benzopyran-4-one | + | NAME Quercetin 7-methyl ether 3,3'-disulfate;Rhamnetin 3,3'-disulfate;5-Hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-methoxy-3-(sulfooxy)-4H-1-benzopyran-4-one |
| − | CAS_RN 116353-78-7 | + | CAS_RN 116353-78-7 |
| − | FORMULA C16H12O13S2 | + | FORMULA C16H12O13S2 |
| − | EXACTMASS 475.97193185000003 | + | EXACTMASS 475.97193185000003 |
| − | AVERAGEMASS 476.39068000000003 | + | AVERAGEMASS 476.39068000000003 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(c(O)c2)OS(O)(=O)=O | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(c(O)c2)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
1.5065 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7921 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7921 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5065 2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2210 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2210 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0776 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6369 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3514 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3514 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6369 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0776 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0658 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7803 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7803 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0658 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6369 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4948 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7921 -0.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0658 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9355 2.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9834 0.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1909 0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5818 0.2619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.1909 0.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5805 -0.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5831 0.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7921 -1.4423 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.3319 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1764 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7921 -2.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
18 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 2 0 0 0 0
24 27 2 0 0 0 0
19 28 1 0 0 0 0
28 29 2 0 0 0 0
28 30 2 0 0 0 0
28 31 1 0 0 0 0
22 6 1 0 0 0 0
S SKP 8
ID FL5FCCNSS003
KNApSAcK_ID C00013909
NAME Quercetin 7-methyl ether 3,3'-disulfate;Rhamnetin 3,3'-disulfate;5-Hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-methoxy-3-(sulfooxy)-4H-1-benzopyran-4-one
CAS_RN 116353-78-7
FORMULA C16H12O13S2
EXACTMASS 475.97193185000003
AVERAGEMASS 476.39068000000003
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(c(O)c2)OS(O)(=O)=O
M END
