Mol:FL2FACNN0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 41 0 0 0 0 0 0 0 0999 V2000 | + | 37 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2936 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2936 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7941 -0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7941 -0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2936 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2936 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7941 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7941 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2947 -0.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2947 -0.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2947 -0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2947 -0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8037 -1.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8037 -1.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3127 -0.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3127 -0.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3127 -0.3390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.3127 -0.3390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8037 -0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8037 -0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3127 0.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3127 0.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8037 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8037 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6742 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6742 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1748 0.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1748 0.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6742 0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6742 0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1748 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1748 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3247 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3247 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3247 0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3247 0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8157 -0.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8157 -0.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3067 0.0428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.3067 0.0428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.3067 0.6097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.3067 0.6097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.8157 0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8157 0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7973 0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7973 0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2867 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2867 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7761 0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7761 0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7761 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7761 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2867 1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2867 1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7973 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7973 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3067 1.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3067 1.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5520 -0.4831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5520 -0.4831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2655 1.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2655 1.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7941 -1.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7941 -1.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6228 0.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6228 0.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6421 0.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6421 0.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5082 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5082 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2263 0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2263 0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5083 -0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5083 -0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 1 0 0 0 | + | 9 11 1 1 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 21 29 1 1 0 0 0 | + | 21 29 1 1 0 0 0 |
| − | 15 9 1 0 0 0 0 | + | 15 9 1 0 0 0 0 |
| − | 20 30 1 6 0 0 0 | + | 20 30 1 6 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 4 32 1 0 0 0 0 | + | 4 32 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 33 1 0 0 0 0 |
| − | 25 34 1 0 0 0 0 | + | 25 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 20 36 1 1 0 0 0 | + | 20 36 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 36 37 | + | M SAL 2 2 36 37 |
| − | M SBL 2 1 40 | + | M SBL 2 1 40 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 40 1.7051 -0.8025 | + | M SVB 2 40 1.7051 -0.8025 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 34 35 | + | M SAL 1 2 34 35 |
| − | M SBL 1 1 38 | + | M SBL 1 1 38 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 38 2.9083 0.6867 | + | M SVB 1 38 2.9083 0.6867 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNN0001 | + | ID FL2FACNN0001 |
| − | KNApSAcK_ID C00001002 | + | KNApSAcK_ID C00001002 |
| − | NAME Silandrin | + | NAME Silandrin |
| − | CAS_RN 70815-32-6 | + | CAS_RN 70815-32-6 |
| − | FORMULA C25H22O9 | + | FORMULA C25H22O9 |
| − | EXACTMASS 466.126382302 | + | EXACTMASS 466.126382302 |
| − | AVERAGEMASS 466.43678 | + | AVERAGEMASS 466.43678 |
| − | SMILES [C@](c(c5)cc(c(c5)O)OC)([C@](CO)([H])4)(Oc(c1O4)ccc([C@@](C3)([H])Oc(c2)c(C3=O)c(O)cc2O)c1)[H] | + | SMILES [C@](c(c5)cc(c(c5)O)OC)([C@](CO)([H])4)(Oc(c1O4)ccc([C@@](C3)([H])Oc(c2)c(C3=O)c(O)cc2O)c1)[H] |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 41 0 0 0 0 0 0 0 0999 V2000
-3.2936 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7941 -0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2936 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7941 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2947 -0.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2947 -0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8037 -1.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3127 -0.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3127 -0.3390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8037 -0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3127 0.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8037 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6742 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1748 0.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6742 0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1748 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3247 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3247 0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8157 -0.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3067 0.0428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3067 0.6097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8157 0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2867 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7761 0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7761 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2867 1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3067 1.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5520 -0.4831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2655 1.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7941 -1.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6228 0.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6421 0.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5082 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2263 0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5083 -0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 1 0 0 0
7 12 2 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 14 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 18 1 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
21 29 1 1 0 0 0
15 9 1 0 0 0 0
20 30 1 6 0 0 0
26 31 1 0 0 0 0
4 32 1 0 0 0 0
1 33 1 0 0 0 0
25 34 1 0 0 0 0
34 35 1 0 0 0 0
20 36 1 1 0 0 0
36 37 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 36 37
M SBL 2 1 40
M SMT 2 CH2OH
M SVB 2 40 1.7051 -0.8025
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 1 38
M SMT 1 OCH3
M SVB 1 38 2.9083 0.6867
S SKP 8
ID FL2FACNN0001
KNApSAcK_ID C00001002
NAME Silandrin
CAS_RN 70815-32-6
FORMULA C25H22O9
EXACTMASS 466.126382302
AVERAGEMASS 466.43678
SMILES [C@](c(c5)cc(c(c5)O)OC)([C@](CO)([H])4)(Oc(c1O4)ccc([C@@](C3)([H])Oc(c2)c(C3=O)c(O)cc2O)c1)[H]
M END
