Mol:FL3FAIGS0006
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 |
| − | -1.1725 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1725 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1725 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1725 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4714 -2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4714 -2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2297 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2297 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2297 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2297 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4714 -0.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4714 -0.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9307 -2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9307 -2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6318 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6318 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6318 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6318 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9307 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9307 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9307 -2.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9307 -2.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3326 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3326 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0471 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0471 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7615 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7615 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7615 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7615 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0471 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0471 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3326 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3326 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4714 -2.9327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4714 -2.9327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4462 0.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4462 0.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0892 -0.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0892 -0.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0565 -0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0565 -0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4955 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4955 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6877 -0.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6877 -0.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9082 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9082 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4746 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4746 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2998 -0.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2998 -0.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8071 -0.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8071 -0.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3274 -0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3274 -0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0172 -1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0172 -1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9172 0.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9172 0.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9750 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9750 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8593 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8593 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5134 -0.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5134 -0.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8593 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8593 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0471 1.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0471 1.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6507 2.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6507 2.9363 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 14 33 1 0 0 0 0 | + | 14 33 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 16 35 1 0 0 0 0 | + | 16 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 30 31 32 | + | M SAL 1 3 30 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
| − | M SBV 1 35 0.6174 -0.5918 | + | M SBV 1 35 0.6174 -0.5918 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 37 -0.7519 0.4341 | + | M SBV 2 37 -0.7519 0.4341 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 35 36 | + | M SAL 3 2 35 36 |
| − | M SBL 3 1 39 | + | M SBL 3 1 39 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 39 0.0000 -0.7726 | + | M SBV 3 39 0.0000 -0.7726 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAIGS0006 | + | ID FL3FAIGS0006 |
| − | FORMULA C23H22O13 | + | FORMULA C23H22O13 |
| − | EXACTMASS 506.10604078999995 | + | EXACTMASS 506.10604078999995 |
| − | AVERAGEMASS 506.41298000000006 | + | AVERAGEMASS 506.41298000000006 |
| − | SMILES OC(C4C(O)=O)C(C(O)C(O4)Oc(c3)cc(c(c3O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=O)O | + | SMILES OC(C4C(O)=O)C(C(O)C(O4)Oc(c3)cc(c(c3O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=O)O |
M END | M END | ||
| − | |||
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
-1.1725 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1725 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4714 -2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2297 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2297 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4714 -0.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9307 -2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6318 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6318 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9307 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9307 -2.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3326 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0471 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7615 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7615 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0471 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3326 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4714 -2.9327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4462 0.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0892 -0.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0565 -0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4955 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6877 -0.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9082 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4746 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2998 -0.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8071 -0.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3274 -0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0172 -1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9172 0.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9750 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8593 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5134 -0.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8593 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0471 1.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6507 2.9363 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
20 1 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
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
26 30 1 0 0 0 0
33 34 1 0 0 0 0
14 33 1 0 0 0 0
35 36 1 0 0 0 0
16 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^ COOH
M SBV 1 35 0.6174 -0.5918
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 -0.7519 0.4341
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 35 36
M SBL 3 1 39
M SMT 3 OCH3
M SBV 3 39 0.0000 -0.7726
S SKP 5
ID FL3FAIGS0006
FORMULA C23H22O13
EXACTMASS 506.10604078999995
AVERAGEMASS 506.41298000000006
SMILES OC(C4C(O)=O)C(C(O)C(O4)Oc(c3)cc(c(c3O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=O)O
M END
