Mol:FL3FCACS0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2196 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2196 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2196 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2196 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5051 -2.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5051 -2.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2093 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2093 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2093 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2093 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5051 -0.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5051 -0.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9238 -2.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9238 -2.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6382 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6382 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6382 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6382 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9238 -0.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9238 -0.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9238 -2.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9238 -2.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2989 2.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2989 2.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0767 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0767 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7468 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7468 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7379 0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7379 0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1428 1.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1428 1.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5346 1.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5346 1.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4518 2.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4518 2.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1214 2.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1214 2.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2521 0.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2521 0.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5051 -2.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5051 -2.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5114 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5114 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2643 -0.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2643 -0.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0172 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0172 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0172 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0172 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2643 0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2643 0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5114 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5114 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7696 0.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7696 0.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7352 0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7352 0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3750 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3750 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6526 0.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6526 0.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9990 0.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9990 0.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3894 0.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3894 0.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0359 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0359 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3936 0.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3936 0.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0498 0.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0498 0.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0485 -0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0485 -0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7769 -0.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7769 -0.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6850 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6850 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6273 1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6273 1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7696 1.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7696 1.8771 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 |
| − | 12 13 1 1 0 0 0 | + | 12 13 1 1 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 15 14 1 1 0 0 0 | + | 15 14 1 1 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 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 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 20 1 0 0 0 0 | + | 32 20 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 1 38 1 0 0 0 0 | + | 1 38 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 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 38 39 | + | M SAL 1 2 38 39 |
| − | M SBL 1 1 43 | + | M SBL 1 1 43 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 43 0.5573 -0.3370 | + | M SBV 1 43 0.5573 -0.3370 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 40 41 | + | M SAL 2 2 40 41 |
| − | M SBL 2 1 45 | + | M SBL 2 1 45 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 45 0.5914 -0.7033 | + | M SBV 2 45 0.5914 -0.7033 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCACS0013 | + | ID FL3FCACS0013 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES O=C(c25)C=C(Oc2c(c(OC)cc5O)C(O4)C(C(O)C(C4)O)OC(O3)C(O)C(O)C(C3CO)O)c(c1)ccc(O)c1 | + | SMILES O=C(c25)C=C(Oc2c(c(OC)cc5O)C(O4)C(C(O)C(C4)O)OC(O3)C(O)C(O)C(C3CO)O)c(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.2196 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2196 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5051 -2.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2093 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2093 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5051 -0.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9238 -2.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6382 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6382 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9238 -0.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9238 -2.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2989 2.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0767 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7468 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7379 0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1428 1.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 1.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4518 2.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1214 2.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2521 0.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5051 -2.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5114 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2643 -0.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0172 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0172 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2643 0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5114 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7696 0.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7352 0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3750 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6526 0.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9990 0.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3894 0.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0359 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3936 0.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0498 0.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0485 -0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7769 -0.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6850 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6273 1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7696 1.8771 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
12 13 1 1 0 0 0
13 14 1 1 0 0 0
15 14 1 1 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
12 18 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
6 15 1 0 0 0 0
3 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
9 22 1 0 0 0 0
25 28 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 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 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 20 1 0 0 0 0
38 39 1 0 0 0 0
1 38 1 0 0 0 0
40 41 1 0 0 0 0
34 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 43
M SMT 1 ^ OCH3
M SBV 1 43 0.5573 -0.3370
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 40 41
M SBL 2 1 45
M SMT 2 ^ CH2OH
M SBV 2 45 0.5914 -0.7033
S SKP 5
ID FL3FCACS0013
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES O=C(c25)C=C(Oc2c(c(OC)cc5O)C(O4)C(C(O)C(C4)O)OC(O3)C(O)C(O)C(C3CO)O)c(c1)ccc(O)c1
M END
