Mol:FL3FAECS0007
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 |
| − | 0.2764 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2764 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4381 -1.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4381 -1.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1526 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1526 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1526 -2.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1526 -2.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4381 -3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4381 -3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2764 -2.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2764 -2.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8670 -1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8670 -1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5814 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5814 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5814 -2.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5814 -2.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8670 -3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8670 -3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2271 -1.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2271 -1.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8670 -3.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8670 -3.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4381 -3.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4381 -3.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0581 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0581 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4870 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4870 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4870 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4870 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 -0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 -0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0581 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0581 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1412 -1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1412 -1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3332 1.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3332 1.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0254 0.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0254 0.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7749 -0.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7749 -0.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9600 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9600 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2677 -0.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2677 -0.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5182 0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5182 0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6387 1.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6387 1.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9896 1.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9896 1.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4009 -0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4009 -0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6469 3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6469 3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4224 3.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4224 3.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0612 2.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0612 2.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1287 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1287 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3532 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3532 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7143 2.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7143 2.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7664 1.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7664 1.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6811 3.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6811 3.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3152 3.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3152 3.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8308 3.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8308 3.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9400 0.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9400 0.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6884 1.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6884 1.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1022 -0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1022 -0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7664 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7664 -0.7589 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 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 |
| − | 7 24 1 0 0 0 0 | + | 7 24 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 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 |
| − | 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 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 30 39 1 0 0 0 0 | + | 30 39 1 0 0 0 0 |
| − | 34 27 1 0 0 0 0 | + | 34 27 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 17 42 1 0 0 0 0 | + | 17 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 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 45 -0.5782 -0.4953 | + | M SBV 1 45 -0.5782 -0.4953 |
| − | 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 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 47 -0.6152 -0.3552 | + | M SBV 2 47 -0.6152 -0.3552 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAECS0007 | + | ID FL3FAECS0007 |
| − | FORMULA C28H32O15 | + | FORMULA C28H32O15 |
| − | EXACTMASS 608.174120354 | + | EXACTMASS 608.174120354 |
| − | AVERAGEMASS 608.54468 | + | AVERAGEMASS 608.54468 |
| − | SMILES C(=O)(C=4)c(c1OC(c(c5)ccc(OC)c5O)4)c(cc(c1C(C2O)OC(C(OC(C(O)3)OC(C)C(O)C(O)3)C2O)CO)O)O | + | SMILES C(=O)(C=4)c(c1OC(c(c5)ccc(OC)c5O)4)c(cc(c1C(C2O)OC(C(OC(C(O)3)OC(C)C(O)C(O)3)C2O)CO)O)O |
M END | M END | ||
| − | |||
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
0.2764 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4381 -1.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1526 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1526 -2.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4381 -3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2764 -2.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8670 -1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5814 -2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5814 -2.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8670 -3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2271 -1.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8670 -3.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4381 -3.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0581 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4870 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4870 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 -0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0581 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1412 -1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3332 1.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0254 0.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7749 -0.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9600 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2677 -0.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5182 0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6387 1.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9896 1.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4009 -0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6469 3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4224 3.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0612 2.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1287 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3532 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7143 2.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7664 1.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6811 3.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3152 3.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8308 3.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9400 0.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6884 1.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1022 -0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7664 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
3 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 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
16 20 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
7 24 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
33 36 1 0 0 0 0
32 37 1 0 0 0 0
31 38 1 0 0 0 0
30 39 1 0 0 0 0
34 27 1 0 0 0 0
40 41 1 0 0 0 0
26 40 1 0 0 0 0
42 43 1 0 0 0 0
17 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 CH2OH
M SBV 1 45 -0.5782 -0.4953
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 OCH3
M SBV 2 47 -0.6152 -0.3552
S SKP 5
ID FL3FAECS0007
FORMULA C28H32O15
EXACTMASS 608.174120354
AVERAGEMASS 608.54468
SMILES C(=O)(C=4)c(c1OC(c(c5)ccc(OC)c5O)4)c(cc(c1C(C2O)OC(C(OC(C(O)3)OC(C)C(O)C(O)3)C2O)CO)O)O
M END
