Mol:FL3FCCCS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3405 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3405 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3405 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3405 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6259 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6259 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0888 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0888 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0888 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0888 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6259 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6259 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8034 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8034 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5181 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5181 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5181 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5181 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8034 0.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8034 0.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8034 -1.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8034 -1.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6259 -1.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6259 -1.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3120 0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3120 0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0650 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0650 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8181 0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8181 0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8181 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8181 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0650 2.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0650 2.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3120 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3120 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5708 2.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5708 2.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7501 -0.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7501 -0.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3054 -0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3054 -0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6648 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6648 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9972 -0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9972 -0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4959 -0.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4959 -0.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1502 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1502 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4443 -0.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4443 -0.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9579 -0.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9579 -0.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9664 -1.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9664 -1.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1845 -1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1845 -1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5189 -2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5189 -2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8758 -2.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8758 -2.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2289 -2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2289 -2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8944 -1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8944 -1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5375 -2.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5375 -2.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9265 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9265 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0421 -2.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0421 -2.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2991 -2.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2991 -2.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2284 -3.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2284 -3.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0650 3.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0650 3.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0249 0.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0249 0.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6671 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6671 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6101 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6101 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5708 0.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5708 0.4768 0.0000 O 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 |
| − | 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 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 17 39 1 0 0 0 0 | + | 17 39 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 1 40 1 0 0 0 0 | + | 1 40 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 25 42 1 0 0 0 0 | + | 25 42 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 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 45 0.6844 -0.4223 | + | M SBV 1 45 0.6844 -0.4223 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 42 43 | + | M SAL 2 2 42 43 |
| − | M SBL 2 1 47 | + | M SBL 2 1 47 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 47 0.4599 -0.4859 | + | M SBV 2 47 0.4599 -0.4859 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCCCS0004 | + | ID FL3FCCCS0004 |
| − | FORMULA C28H32O15 | + | FORMULA C28H32O15 |
| − | EXACTMASS 608.174120354 | + | EXACTMASS 608.174120354 |
| − | AVERAGEMASS 608.54468 | + | AVERAGEMASS 608.54468 |
| − | SMILES C(C1OC(O5)C(O)C(O)C(C(C)5)O)(c(c4O)c(OC)cc(c43)OC(=CC3=O)c(c2)cc(c(c2)O)O)OC(C(O)C1O)CO | + | SMILES C(C1OC(O5)C(O)C(O)C(C(C)5)O)(c(c4O)c(OC)cc(c43)OC(=CC3=O)c(c2)cc(c(c2)O)O)OC(C(O)C1O)CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-1.3405 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3405 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6259 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0888 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0888 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6259 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5181 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5181 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 0.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 -1.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6259 -1.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3120 0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0650 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8181 0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8181 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0650 2.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3120 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5708 2.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7501 -0.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3054 -0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6648 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9972 -0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4959 -0.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1502 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4443 -0.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9579 -0.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9664 -1.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1845 -1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5189 -2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8758 -2.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2289 -2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8944 -1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5375 -2.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9265 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0421 -2.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2991 -2.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2284 -3.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0650 3.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0249 0.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6671 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6101 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5708 0.4768 0.0000 O 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
13 9 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 28 1 0 0 0 0
23 2 1 0 0 0 0
17 39 1 0 0 0 0
40 41 1 0 0 0 0
1 40 1 0 0 0 0
42 43 1 0 0 0 0
25 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^ OCH3
M SBV 1 45 0.6844 -0.4223
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 ^ CH2OH
M SBV 2 47 0.4599 -0.4859
S SKP 5
ID FL3FCCCS0004
FORMULA C28H32O15
EXACTMASS 608.174120354
AVERAGEMASS 608.54468
SMILES C(C1OC(O5)C(O)C(O)C(C(C)5)O)(c(c4O)c(OC)cc(c43)OC(=CC3=O)c(c2)cc(c(c2)O)O)OC(C(O)C1O)CO
M END
