Mol:FLIAELCS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0280 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0280 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0280 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0280 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4717 -1.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4717 -1.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9154 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9154 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9154 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9154 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4717 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4717 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3591 -1.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3591 -1.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1972 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1972 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1972 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1972 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3591 -0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3591 -0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5841 -0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5841 -0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3591 -1.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3591 -1.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3639 2.1960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.3639 2.1960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.8181 1.7418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8181 1.7418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5000 1.1838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5000 1.1838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5000 0.5416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5000 0.5416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.0458 0.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0458 0.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3639 1.5538 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.3639 1.5538 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.0953 2.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0953 2.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6351 1.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6351 1.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8519 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8519 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7990 -2.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7990 -2.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3278 -2.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3278 -2.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8565 -2.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8565 -2.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8565 -1.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8565 -1.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3278 -1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3278 -1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7990 -1.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7990 -1.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4717 -2.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4717 -2.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5921 -0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5921 -0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3066 -1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3066 -1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7225 -2.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7225 -2.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5886 -3.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5886 -3.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7425 -1.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7425 -1.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5394 -1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5394 -1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5702 1.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5702 1.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0593 2.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0593 2.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8777 -2.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8777 -2.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5921 -2.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5921 -2.9546 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 |
| − | 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 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 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 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 |
| − | 27 8 1 0 0 0 0 | + | 27 8 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 2 33 1 0 0 0 0 | + | 2 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 18 35 1 0 0 0 0 | + | 18 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 23 37 1 0 0 0 0 | + | 23 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 35 36 | + | M SAL 5 2 35 36 |
| − | M SBL 5 1 38 | + | M SBL 5 1 38 |
| − | M SMT 5 CH2OH | + | M SMT 5 CH2OH |
| − | M SVB 5 38 -0.5702 1.5438 | + | M SVB 5 38 -0.5702 1.5438 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 37 38 | + | M SAL 4 2 37 38 |
| − | M SBL 4 1 40 | + | M SBL 4 1 40 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 40 0.8777 -2.5421 | + | M SVB 4 40 0.8777 -2.5421 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 33 34 | + | M SAL 3 2 33 34 |
| − | M SBL 3 1 36 | + | M SBL 3 1 36 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 36 -2.7425 -1.0404 | + | M SVB 3 36 -2.7425 -1.0404 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 2.028 -2.2905 | + | M SVB 2 34 2.028 -2.2905 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 1.5921 -0.6033 | + | M SVB 1 32 1.5921 -0.6033 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAELCS0001 | + | ID FLIAELCS0001 |
| − | KNApSAcK_ID C00006165 | + | KNApSAcK_ID C00006165 |
| − | NAME Dalpaniculin | + | NAME Dalpaniculin |
| − | CAS_RN 133956-26-0 | + | CAS_RN 133956-26-0 |
| − | FORMULA C25H28O13 | + | FORMULA C25H28O13 |
| − | EXACTMASS 536.152990982 | + | EXACTMASS 536.152990982 |
| − | AVERAGEMASS 536.48202 | + | AVERAGEMASS 536.48202 |
| − | SMILES COc(c1O)c(O)c(C(=O)3)c(OC=C(c(c4OC)cc(c(c4)OC)OC)3)c1[C@@H]([C@H]2O)OC([C@@H]([C@@H]2O)O)CO | + | SMILES COc(c1O)c(O)c(C(=O)3)c(OC=C(c(c4OC)cc(c(c4)OC)OC)3)c1[C@@H]([C@H]2O)OC([C@@H]([C@@H]2O)O)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-2.0280 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0280 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4717 -1.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9154 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9154 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4717 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3591 -1.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1972 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1972 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3591 -0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5841 -0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3591 -1.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3639 2.1960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8181 1.7418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5000 1.1838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5000 0.5416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0458 0.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3639 1.5538 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.0953 2.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6351 1.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8519 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7990 -2.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3278 -2.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8565 -2.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8565 -1.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3278 -1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7990 -1.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4717 -2.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5921 -0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3066 -1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7225 -2.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5886 -3.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7425 -1.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5394 -1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5702 1.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0593 2.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8777 -2.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5921 -2.9546 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
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
1 11 1 0 0 0 0
7 12 2 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 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
27 8 1 0 0 0 0
3 28 1 0 0 0 0
26 29 1 0 0 0 0
29 30 1 0 0 0 0
24 31 1 0 0 0 0
31 32 1 0 0 0 0
2 33 1 0 0 0 0
33 34 1 0 0 0 0
18 35 1 0 0 0 0
35 36 1 0 0 0 0
23 37 1 0 0 0 0
37 38 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 35 36
M SBL 5 1 38
M SMT 5 CH2OH
M SVB 5 38 -0.5702 1.5438
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 37 38
M SBL 4 1 40
M SMT 4 OCH3
M SVB 4 40 0.8777 -2.5421
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 36
M SMT 3 OCH3
M SVB 3 36 -2.7425 -1.0404
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 2.028 -2.2905
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 1.5921 -0.6033
S SKP 8
ID FLIAELCS0001
KNApSAcK_ID C00006165
NAME Dalpaniculin
CAS_RN 133956-26-0
FORMULA C25H28O13
EXACTMASS 536.152990982
AVERAGEMASS 536.48202
SMILES COc(c1O)c(O)c(C(=O)3)c(OC=C(c(c4OC)cc(c(c4)OC)OC)3)c1[C@@H]([C@H]2O)OC([C@@H]([C@@H]2O)O)CO
M END
