Mol:FL4DACGS0013
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 |
| − | -2.0879 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0879 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5670 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5670 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0461 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0461 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0461 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0461 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5670 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5670 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0879 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0879 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5252 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5252 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0044 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0044 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0044 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0044 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5252 0.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5252 0.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5252 -0.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5252 -0.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5753 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5753 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1041 0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1041 0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6328 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6328 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6328 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6328 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1041 1.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1041 1.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5753 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5753 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5386 0.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5386 0.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4639 -0.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4639 -0.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1615 1.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1615 1.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1041 2.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1041 2.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6445 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6445 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1799 -1.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1799 -1.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0100 -1.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0100 -1.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1799 -0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1799 -0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6445 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6445 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8143 -0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8143 -0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4708 -0.9158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4708 -0.9158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7820 -2.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7820 -2.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0507 -2.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0507 -2.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5386 -1.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5386 -1.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5670 -1.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5670 -1.0237 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 1 0 0 0 | + | 9 12 1 1 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACGS0013 | + | ID FL4DACGS0013 |
| − | KNApSAcK_ID C00008705 | + | KNApSAcK_ID C00008705 |
| − | NAME Neoisoastilbin | + | NAME Neoisoastilbin |
| − | CAS_RN 54141-72-9 | + | CAS_RN 54141-72-9 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)OC(O1)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
| − | |||
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
-2.0879 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5670 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0461 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0461 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5670 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0879 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5252 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0044 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0044 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5252 0.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5252 -0.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5753 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1041 0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6328 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6328 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1041 1.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5753 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5386 0.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4639 -0.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1615 1.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1041 2.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6445 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1799 -1.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0100 -1.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1799 -0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6445 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8143 -0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4708 -0.9158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7820 -2.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0507 -2.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5386 -1.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5670 -1.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 1 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
16 21 1 0 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 19 1 0 0 0 0
2 32 1 0 0 0 0
S SKP 8
ID FL4DACGS0013
KNApSAcK_ID C00008705
NAME Neoisoastilbin
CAS_RN 54141-72-9
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)OC(O1)C(O)C(O)C(O)C(C)1
M END
