Mol:FL5FADGL0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.9710 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9710 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9710 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9710 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2565 -1.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2565 -1.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5420 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5420 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5420 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5420 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2565 -0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2565 -0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8274 -1.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8274 -1.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1129 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1129 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1129 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1129 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8274 -0.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8274 -0.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8274 -2.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8274 -2.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2132 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2132 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5151 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5151 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2433 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2433 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2433 0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2433 0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5151 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5151 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2132 0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2132 0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2565 -2.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2565 -2.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8897 1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8897 1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8245 -0.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8245 -0.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3556 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3556 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7519 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7519 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3655 -2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3655 -2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1086 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1086 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8560 -2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8560 -2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2424 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2424 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4994 -1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4994 -1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0056 -1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0056 -1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9667 -0.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9667 -0.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9260 -1.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9260 -1.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5330 1.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5330 1.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2208 1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2208 1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4504 1.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4504 1.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8943 2.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8943 2.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2066 1.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2066 1.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9769 1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9769 1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1789 0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1789 0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8245 1.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8245 1.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2338 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2338 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5298 1.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5298 1.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0968 3.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0968 3.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5262 -2.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5262 -2.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5262 -3.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5262 -3.1189 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 |
| − | 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 35 19 1 0 0 0 0 | + | 35 19 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 16 41 1 0 0 0 0 | + | 16 41 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 25 43 1 0 0 0 0 | + | 25 43 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 41 42 | + | M SAL 1 2 41 42 |
| − | M SBL 1 1 46 | + | M SBL 1 1 46 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 46 -0.0148 -0.7179 | + | M SBV 1 46 -0.0148 -0.7179 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 43 44 | + | M SAL 2 2 43 44 |
| − | M SBL 2 1 48 | + | M SBL 2 1 48 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 48 -0.6702 -0.0149 | + | M SBV 2 48 -0.6702 -0.0149 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGL0017 | + | ID FL5FADGL0017 |
| − | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
| − | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
| − | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
| − | SMILES C(O1)(OC(C2=O)=C(c(c5)cc(c(c5)OC(C(O)4)OC(C)C(O)C(O)4)OC)Oc(c3)c2c(cc3O)O)C(C(C(O)C1CO)O)O | + | SMILES C(O1)(OC(C2=O)=C(c(c5)cc(c(c5)OC(C(O)4)OC(C)C(O)C(O)4)OC)Oc(c3)c2c(cc3O)O)C(C(C(O)C1CO)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.9710 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9710 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2565 -1.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5420 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5420 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2565 -0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8274 -1.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1129 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1129 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8274 -0.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8274 -2.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2132 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5151 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2433 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2433 0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5151 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2132 0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2565 -2.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8897 1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8245 -0.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3556 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7519 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3655 -2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1086 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8560 -2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2424 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4994 -1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0056 -1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9667 -0.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9260 -1.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5330 1.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2208 1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4504 1.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8943 2.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2066 1.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9769 1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1789 0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8245 1.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2338 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5298 1.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0968 3.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5262 -2.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5262 -3.1189 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
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
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 19 1 0 0 0 0
41 42 1 0 0 0 0
16 41 1 0 0 0 0
43 44 1 0 0 0 0
25 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 OCH3
M SBV 1 46 -0.0148 -0.7179
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 CH2OH
M SBV 2 48 -0.6702 -0.0149
S SKP 5
ID FL5FADGL0017
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES C(O1)(OC(C2=O)=C(c(c5)cc(c(c5)OC(C(O)4)OC(C)C(O)C(O)4)OC)Oc(c3)c2c(cc3O)O)C(C(C(O)C1CO)O)O
M END
