Mol:FL3FEAGS0044
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.3757 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3757 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0765 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0765 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0765 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0765 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3757 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3757 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6747 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6747 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6747 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6747 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9597 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9597 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2453 0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2453 0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5307 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5307 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5307 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5307 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2453 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2453 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9597 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9597 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1945 0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1945 0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9197 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9197 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9197 -0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9197 -0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1945 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1945 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2453 -1.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2453 -1.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6868 -1.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6868 -1.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1945 -1.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1945 -1.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6518 0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6518 0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7022 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7022 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1235 -0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1235 -0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2916 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2916 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3862 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3862 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9649 0.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9649 0.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7968 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7968 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6488 -0.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6488 -0.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9459 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9459 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2230 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2230 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4103 0.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4103 0.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9518 1.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9518 1.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8415 1.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8415 1.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6212 1.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6212 1.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4103 1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4103 1.1775 0.0000 C 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 |
| − | 6 7 1 0 0 0 0 | + | 6 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 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 29 31 2 0 0 0 0 | + | 29 31 2 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 3 33 1 0 0 0 0 | + | 3 33 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 37 -0.5447 -0.3145 | + | M SBV 1 37 -0.5447 -0.3145 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0044 | + | ID FL3FEAGS0044 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES O=C(c31)C=C(c(c4)ccc(OC)c4)Oc(cc(c(c(O)3)O)OC(O2)C(O)C(C(O)C2C(O)=O)O)1 | + | SMILES O=C(c31)C=C(c(c4)ccc(OC)c4)Oc(cc(c(c(O)3)O)OC(O2)C(O)C(C(O)C2C(O)=O)O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
3.3757 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0765 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0765 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3757 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6747 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6747 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9597 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2453 0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5307 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5307 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2453 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9597 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1945 0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9197 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9197 -0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1945 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2453 -1.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6868 -1.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1945 -1.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6518 0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7022 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1235 -0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2916 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3862 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9649 0.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7968 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6488 -0.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9459 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2230 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4103 0.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9518 1.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8415 1.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6212 1.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4103 1.1775 0.0000 C 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
6 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
11 17 2 0 0 0 0
15 18 1 0 0 0 0
16 19 1 0 0 0 0
14 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
20 24 1 0 0 0 0
29 31 2 0 0 0 0
29 32 1 0 0 0 0
33 34 1 0 0 0 0
3 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 OCH3
M SBV 1 37 -0.5447 -0.3145
S SKP 5
ID FL3FEAGS0044
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES O=C(c31)C=C(c(c4)ccc(OC)c4)Oc(cc(c(c(O)3)O)OC(O2)C(O)C(C(O)C2C(O)=O)O)1
M END
