Mol:FL7AAIGL0024
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.1330 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1330 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4185 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4185 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4185 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4185 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1330 2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1330 2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8475 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8475 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8475 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8475 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7039 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7039 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0105 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0105 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0105 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0105 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7039 2.0530 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.7039 2.0530 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6912 2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6912 2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3743 1.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3743 1.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0574 2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0574 2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0574 2.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0574 2.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3743 3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3743 3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6912 2.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6912 2.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3743 3.7442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3743 3.7442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6212 3.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6212 3.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4320 1.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4320 1.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1330 -0.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1330 -0.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6792 0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6792 0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5666 -1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5666 -1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6062 -1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6062 -1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2552 -0.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2552 -0.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5052 -0.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5052 -0.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4552 -0.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4552 -0.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8063 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8063 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4029 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4029 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0128 -1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0128 -1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7493 -2.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 -2.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1410 -2.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1410 -2.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6413 -0.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6413 -0.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9591 4.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9591 4.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7919 1.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7919 1.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9222 -3.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9222 -3.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0318 -3.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0318 -3.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1406 -2.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1406 -2.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7230 -1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7230 -1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2312 -1.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2312 -1.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3399 -2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3399 -2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0296 -4.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0296 -4.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4807 -4.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4807 -4.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8440 -2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8440 -2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4320 1.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4320 1.9892 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 17 33 1 0 0 0 0 | + | 17 33 1 0 0 0 0 |
| − | 13 34 1 0 0 0 0 | + | 13 34 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | 38 32 1 0 0 0 0 | + | 38 32 1 0 0 0 0 |
| − | 34 44 1 0 0 0 0 | + | 34 44 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAIGL0024 | + | ID FL7AAIGL0024 |
| − | FORMULA C28H33O16 | + | FORMULA C28H33O16 |
| − | EXACTMASS 625.176860008 | + | EXACTMASS 625.176860008 |
| − | AVERAGEMASS 625.55202 | + | AVERAGEMASS 625.55202 |
| − | SMILES C(O)(C(O)1)C(COC(OC(C2Oc(c4)c([o+1]c(c5)c4c(cc5O)O)c(c3)cc(OC)c(O)c(OC)3)C(O)C(O)C(O2)CO)1)O | + | SMILES C(O)(C(O)1)C(COC(OC(C2Oc(c4)c([o+1]c(c5)c4c(cc5O)O)c(c3)cc(OC)c(O)c(OC)3)C(O)C(O)C(O2)CO)1)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
-2.1330 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4185 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4185 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1330 2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8475 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8475 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7039 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0105 0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0105 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7039 2.0530 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.6912 2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3743 1.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 2.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3743 3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6912 2.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3743 3.7442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6212 3.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4320 1.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1330 -0.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6792 0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5666 -1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6062 -1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2552 -0.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5052 -0.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4552 -0.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8063 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4029 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0128 -1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -2.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1410 -2.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6413 -0.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9591 4.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 1.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9222 -3.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0318 -3.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1406 -2.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7230 -1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2312 -1.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 -2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0296 -4.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4807 -4.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8440 -2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4320 1.9892 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
2 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 3 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
15 17 1 0 0 0 0
14 18 1 0 0 0 0
5 19 1 0 0 0 0
1 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
21 25 1 0 0 0 0
17 33 1 0 0 0 0
13 34 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 43 1 0 0 0 0
38 32 1 0 0 0 0
34 44 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAIGL0024
FORMULA C28H33O16
EXACTMASS 625.176860008
AVERAGEMASS 625.55202
SMILES C(O)(C(O)1)C(COC(OC(C2Oc(c4)c([o+1]c(c5)c4c(cc5O)O)c(c3)cc(OC)c(O)c(OC)3)C(O)C(O)C(O2)CO)1)O
M END
