Mol:FL5FECGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.5767 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5767 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5767 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5767 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8756 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8756 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1745 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1745 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1745 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1745 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8756 0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8756 0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4733 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4733 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7722 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7722 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7722 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7722 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4733 0.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4733 0.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4733 -2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4733 -2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0714 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0714 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6432 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6432 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3577 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3577 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3577 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3577 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6432 1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6432 1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0714 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0714 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2775 0.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2775 0.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0652 -1.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0652 -1.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3827 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3827 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8942 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8942 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8337 -1.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8337 -1.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7789 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7789 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2675 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2675 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3280 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3280 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4664 -0.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4664 -0.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6667 -0.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6667 -0.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2775 -1.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2775 -1.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0720 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0720 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8756 -1.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8756 -1.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6432 2.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6432 2.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6508 -1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6508 -1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1707 -0.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1707 -0.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1707 -2.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1707 -2.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1308 -1.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1308 -1.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2303 -1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2303 -1.7255 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 2 35 1 0 0 0 0 | + | 2 35 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 3 32 33 34 | + | M SAL 1 3 32 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 37 -0.8719 -0.1094 | + | M SBV 1 37 -0.8719 -0.1094 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 35 36 | + | M SAL 2 2 35 36 |
| − | M SBL 2 1 39 | + | M SBL 2 1 39 |
| − | M SMT 2 ^OCH3 | + | M SMT 2 ^OCH3 |
| − | M SBV 2 39 0.5541 0.3199 | + | M SBV 2 39 0.5541 0.3199 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FECGS0007 | + | ID FL5FECGS0007 |
| − | FORMULA C22H20O14 | + | FORMULA C22H20O14 |
| − | EXACTMASS 508.085305348 | + | EXACTMASS 508.085305348 |
| − | AVERAGEMASS 508.3858 | + | AVERAGEMASS 508.3858 |
| − | SMILES c(c(C(=C(OC(C(O)4)OC(C(O)C4O)C(O)=O)3)Oc(c(C3=O)2)cc(c(OC)c2O)O)1)cc(c(c1)O)O | + | SMILES c(c(C(=C(OC(C(O)4)OC(C(O)C4O)C(O)=O)3)Oc(c(C3=O)2)cc(c(OC)c2O)O)1)cc(c(c1)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/
36 39 0 0 0 0 0 0 0 0999 V2000
-3.5767 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5767 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8756 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1745 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1745 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8756 0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4733 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7722 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7722 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4733 0.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4733 -2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0714 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6432 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3577 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3577 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6432 1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0714 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2775 0.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0652 -1.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3827 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8942 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8337 -1.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7789 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2675 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3280 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4664 -0.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6667 -0.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2775 -1.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0720 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8756 -1.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6432 2.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6508 -1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1707 -0.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1707 -2.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1308 -1.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2303 -1.7255 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
23 32 1 0 0 0 0
35 36 1 0 0 0 0
2 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 32 33 34
M SBL 1 1 37
M SMT 1 COOH
M SBV 1 37 -0.8719 -0.1094
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 35 36
M SBL 2 1 39
M SMT 2 ^OCH3
M SBV 2 39 0.5541 0.3199
S SKP 5
ID FL5FECGS0007
FORMULA C22H20O14
EXACTMASS 508.085305348
AVERAGEMASS 508.3858
SMILES c(c(C(=C(OC(C(O)4)OC(C(O)C4O)C(O)=O)3)Oc(c(C3=O)2)cc(c(OC)c2O)O)1)cc(c(c1)O)O
M END
