Mol:FL2FALGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1253 0.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1253 0.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4126 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4126 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1221 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1221 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4053 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4053 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6927 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6927 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6963 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6963 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9764 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9764 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2638 -0.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2638 -0.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2674 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2674 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9837 0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9837 0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3864 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3864 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1024 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1024 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8153 0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8153 0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8121 1.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8121 1.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0960 1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0960 1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3832 1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3832 1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9753 -1.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9753 -1.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7507 0.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7507 0.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4053 -1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4053 -1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4001 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4001 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1895 -0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1895 -0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1660 -0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1660 -0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5662 0.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5662 0.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7767 0.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7767 0.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8001 -0.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8001 -0.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1940 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1940 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8158 -0.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8158 -0.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7617 -1.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7617 -1.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8359 -1.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8359 -1.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7507 -0.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7507 -0.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1024 -0.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1024 -0.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5378 1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5378 1.8009 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 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALGS0002 | + | ID FL2FALGS0002 |
| − | KNApSAcK_ID C00014331 | + | KNApSAcK_ID C00014331 |
| − | NAME Steppogenin 4'-O-beta-D-glucoside;5,7,2',4'-Tetrahydroxyflavanone 4'-glucoside | + | NAME Steppogenin 4'-O-beta-D-glucoside;5,7,2',4'-Tetrahydroxyflavanone 4'-glucoside |
| − | CAS_RN 247031-40-9 | + | CAS_RN 247031-40-9 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES c(c2)c(cc(c2C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)O)OC(O1)C(O)C(O)C(O)C1CO | + | SMILES c(c2)c(cc(c2C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)O)OC(O1)C(O)C(O)C(O)C1CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-3.1253 0.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4126 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1221 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4053 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6927 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6963 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9764 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2638 -0.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2674 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9837 0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3864 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1024 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8153 0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8121 1.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0960 1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3832 1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9753 -1.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7507 0.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4053 -1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4001 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1895 -0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1660 -0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5662 0.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7767 0.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8001 -0.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1940 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 -0.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7617 -1.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8359 -1.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7507 -0.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1024 -0.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5378 1.8009 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 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
12 31 1 0 0 0 0
14 32 1 0 0 0 0
23 32 1 0 0 0 0
S SKP 8
ID FL2FALGS0002
KNApSAcK_ID C00014331
NAME Steppogenin 4'-O-beta-D-glucoside;5,7,2',4'-Tetrahydroxyflavanone 4'-glucoside
CAS_RN 247031-40-9
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c2)c(cc(c2C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)O)OC(O1)C(O)C(O)C(O)C1CO
M END
