Mol:FLIB1LGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 38 0 0 0 0 0 0 0 0999 V2000 | + | 34 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0861 1.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0861 1.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5298 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5298 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0265 1.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0265 1.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5826 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5826 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5826 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5826 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1593 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1593 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7361 0.3661 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.7361 0.3661 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.7361 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7361 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1593 1.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1593 1.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5296 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5296 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0265 0.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0265 0.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1593 -0.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1593 -0.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3124 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3124 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3124 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3124 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8638 -0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8638 -0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4151 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4151 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4151 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4151 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8638 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8638 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1900 1.1494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1900 1.1494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.8438 0.6923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8438 0.6923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3452 0.8862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3452 0.8862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8255 0.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8255 0.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2137 1.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2137 1.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7230 1.0582 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.7230 1.0582 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.8882 0.9623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8882 0.9623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3835 0.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3835 0.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0595 0.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0595 0.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9961 -1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9961 -1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6293 -1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6293 -1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8882 -1.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8882 -1.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6612 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6612 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8306 2.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8306 2.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1394 0.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1394 0.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8539 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8539 0.5109 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 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 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 |
| − | 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 |
| − | 18 33 1 0 0 0 0 | + | 18 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 -2.4653 1.3973 | + | M SVB 2 35 -2.4653 1.3973 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 37 3.1394 0.9234 | + | M SVB 1 37 3.1394 0.9234 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LGS0001 | + | ID FLIB1LGS0001 |
| − | KNApSAcK_ID C00010175 | + | KNApSAcK_ID C00010175 |
| − | NAME Onogenin 7-O-glucoside;Onoside | + | NAME Onogenin 7-O-glucoside;Onoside |
| − | CAS_RN 96304-52-8 | + | CAS_RN 96304-52-8 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES c(O5)(c(OC5)4)cc(c(OC)c4)C(C(=O)1)COc(c2)c1ccc(O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)2 | + | SMILES c(O5)(c(OC5)4)cc(c(OC)c4)C(C(=O)1)COc(c2)c1ccc(O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 38 0 0 0 0 0 0 0 0999 V2000
-1.0861 1.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5298 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0265 1.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5826 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5826 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1593 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7361 0.3661 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.7361 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1593 1.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5296 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0265 0.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1593 -0.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3124 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3124 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8638 -0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4151 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4151 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8638 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1900 1.1494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8438 0.6923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3452 0.8862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8255 0.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2137 1.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7230 1.0582 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8882 0.9623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3835 0.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0595 0.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9961 -1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6293 -1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8882 -1.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6612 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8306 2.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1394 0.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8539 0.5109 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 1 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
24 31 1 0 0 0 0
31 32 1 0 0 0 0
18 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -2.4653 1.3973
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 OCH3
M SVB 1 37 3.1394 0.9234
S SKP 8
ID FLIB1LGS0001
KNApSAcK_ID C00010175
NAME Onogenin 7-O-glucoside;Onoside
CAS_RN 96304-52-8
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES c(O5)(c(OC5)4)cc(c(OC)c4)C(C(=O)1)COc(c2)c1ccc(O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)2
M END
