Mol:FL7AADGL0027
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7683 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0538 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0538 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0538 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0538 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7683 2.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 2.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4828 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4828 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4828 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4828 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3392 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3392 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3753 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3753 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3753 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3753 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3392 2.9410 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.3392 2.9410 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0559 2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0559 2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7390 2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7390 2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4221 2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4221 2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4221 3.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4221 3.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7390 4.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7390 4.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0559 3.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0559 3.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0673 4.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0673 4.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0673 2.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0673 2.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7683 0.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 0.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0866 1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0866 1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7390 4.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7390 4.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3729 5.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3729 5.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2149 -2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2149 -2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0612 -4.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0612 -4.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7407 -4.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7407 -4.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3975 -3.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3975 -3.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5092 -2.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5092 -2.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8297 -3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8297 -3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1728 -3.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1728 -3.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5142 -4.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5142 -4.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6566 -5.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6566 -5.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8209 -2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8209 -2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8460 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8460 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4548 -1.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4548 -1.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2679 -0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2679 -0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4654 0.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4654 0.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8268 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8268 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0420 -0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0420 -0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7229 -1.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7229 -1.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4878 0.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4878 0.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8266 -1.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8266 -1.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4512 -1.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4512 -1.4650 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 |
| − | 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 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 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 27 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 38 33 1 1 0 0 0 | + | 38 33 1 1 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
| − | 23 34 1 0 0 0 0 | + | 23 34 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | 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 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 46 0.0194 0.7687 | + | M SBV 1 46 0.0194 0.7687 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AADGL0027 | + | ID FL7AADGL0027 |
| − | FORMULA C27H31O15 | + | FORMULA C27H31O15 |
| − | EXACTMASS 595.166295322 | + | EXACTMASS 595.166295322 |
| − | AVERAGEMASS 595.52604 | + | AVERAGEMASS 595.52604 |
| − | SMILES COc(c(O)1)cc(c([o+1]3)c(OC(O5)C(O)C(C(C5CO)OC(C(O)4)OCC(O)C4O)O)cc(c32)c(cc(O)c2)O)cc1 | + | SMILES COc(c(O)1)cc(c([o+1]3)c(OC(O5)C(O)C(C(C5CO)OC(C(O)4)OCC(O)C4O)O)cc(c32)c(cc(O)c2)O)cc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.7683 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0538 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0538 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 2.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4828 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4828 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3392 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3753 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3753 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3392 2.9410 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0559 2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7390 2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4221 2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4221 3.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7390 4.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0559 3.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0673 4.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0673 2.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 0.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0866 1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7390 4.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3729 5.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2149 -2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0612 -4.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7407 -4.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3975 -3.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5092 -2.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1728 -3.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5142 -4.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6566 -5.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8209 -2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8460 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4548 -1.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2679 -0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4654 0.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8268 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0420 -0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7229 -1.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4878 0.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8266 -1.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4512 -1.4650 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
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
14 17 1 0 0 0 0
5 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
27 23 1 0 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
38 33 1 1 0 0 0
35 39 1 0 0 0 0
36 40 1 0 0 0 0
20 37 1 0 0 0 0
23 34 1 0 0 0 0
41 42 1 0 0 0 0
33 41 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^ CH2OH
M SBV 1 46 0.0194 0.7687
S SKP 5
ID FL7AADGL0027
FORMULA C27H31O15
EXACTMASS 595.166295322
AVERAGEMASS 595.52604
SMILES COc(c(O)1)cc(c([o+1]3)c(OC(O5)C(O)C(C(C5CO)OC(C(O)4)OCC(O)C4O)O)cc(c32)c(cc(O)c2)O)cc1
M END
