Mol:FLIA2LGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 40 0 0 0 0 0 0 0 0999 V2000 | + | 36 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2417 1.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2417 1.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6853 0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6853 0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1290 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1290 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4270 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4270 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4270 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4270 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0038 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0038 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5805 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5805 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5805 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5805 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0038 1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0038 1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6851 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6851 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1290 -0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1290 -0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0038 -0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0038 -0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1569 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1569 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1569 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1569 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7082 -1.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7082 -1.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2596 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2596 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2596 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2596 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7082 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7082 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3456 1.0622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3456 1.0622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.9993 0.6051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.9993 0.6051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5007 0.7990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5007 0.7990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9811 0.7933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9811 0.7933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3692 1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3692 1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8785 0.9710 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.8785 0.9710 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.7907 1.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7907 1.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3262 0.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3262 0.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2150 0.3194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2150 0.3194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8406 -1.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8406 -1.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4737 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4737 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7327 -1.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7327 -1.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3996 0.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3996 0.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3996 -0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3996 -0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1481 1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1481 1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1339 1.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1339 1.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9839 0.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9839 0.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6983 0.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6983 0.4236 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 7 1 0 0 0 0 | + | 6 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 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 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 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 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 16 1 0 0 0 0 | + | 30 16 1 0 0 0 0 |
| − | 10 31 1 0 0 0 0 | + | 10 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 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 |
| − | 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 37 | + | M SBL 3 1 37 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 37 -3.1481 1.6981 | + | M SVB 3 37 -3.1481 1.6981 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 35 36 | + | M SAL 2 2 35 36 |
| − | M SBL 2 1 39 | + | M SBL 2 1 39 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 39 2.9839 0.8361 | + | M SVB 2 39 2.9839 0.8361 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 -1.3996 0.3948 | + | M SVB 1 35 -1.3996 0.3948 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA2LGS0001 | + | ID FLIA2LGS0001 |
| − | KNApSAcK_ID C00010102 | + | KNApSAcK_ID C00010102 |
| − | NAME Dalpatein 7-O-glucoside;Dalpatin | + | NAME Dalpatein 7-O-glucoside;Dalpatin |
| − | CAS_RN 40522-40-5 | + | CAS_RN 40522-40-5 |
| − | FORMULA C24H24O12 | + | FORMULA C24H24O12 |
| − | EXACTMASS 504.126776232 | + | EXACTMASS 504.126776232 |
| − | AVERAGEMASS 504.44016 | + | AVERAGEMASS 504.44016 |
| − | SMILES O(c43)C=C(C(=O)c(cc(c(O[C@@H]([C@H]5O)OC([C@H](O)[C@@H]5O)CO)c4)OC)3)c(c(OC)2)cc(c1c2)OCO1 | + | SMILES O(c43)C=C(C(=O)c(cc(c(O[C@@H]([C@H]5O)OC([C@H](O)[C@@H]5O)CO)c4)OC)3)c(c(OC)2)cc(c1c2)OCO1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 40 0 0 0 0 0 0 0 0999 V2000
-1.2417 1.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6853 0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1290 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4270 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4270 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0038 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5805 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5805 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0038 1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6851 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1290 -0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0038 -0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1569 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1569 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7082 -1.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2596 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2596 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7082 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3456 1.0622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9993 0.6051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5007 0.7990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9811 0.7933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3692 1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8785 0.9710 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.7907 1.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3262 0.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2150 0.3194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8406 -1.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4737 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7327 -1.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3996 0.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3996 -0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1481 1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1339 1.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9839 0.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6983 0.4236 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 1 1 0 0 0 0
15 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 16 1 0 0 0 0
10 31 1 0 0 0 0
31 32 1 0 0 0 0
24 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
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 37
M SMT 3 CH2OH
M SVB 3 37 -3.1481 1.6981
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 35 36
M SBL 2 1 39
M SMT 2 OCH3
M SVB 2 39 2.9839 0.8361
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 -1.3996 0.3948
S SKP 8
ID FLIA2LGS0001
KNApSAcK_ID C00010102
NAME Dalpatein 7-O-glucoside;Dalpatin
CAS_RN 40522-40-5
FORMULA C24H24O12
EXACTMASS 504.126776232
AVERAGEMASS 504.44016
SMILES O(c43)C=C(C(=O)c(cc(c(O[C@@H]([C@H]5O)OC([C@H](O)[C@@H]5O)CO)c4)OC)3)c(c(OC)2)cc(c1c2)OCO1
M END
