Mol:FL5FABNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1534 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1534 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1534 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1534 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6530 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6530 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1525 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1525 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1525 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1525 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6530 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6530 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6521 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6521 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1516 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1516 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1516 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1516 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6521 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6521 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3485 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3485 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8788 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8788 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4092 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4092 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4092 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4092 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8788 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8788 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3485 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3485 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6521 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6521 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6536 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6536 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6530 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6530 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3485 -0.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3485 -0.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9391 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9391 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6536 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6536 0.9131 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 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -5.3422 4.0338 | + | M SBV 1 23 -5.3422 4.0338 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FABNS0001 | + | ID FL5FABNS0001 |
| − | KNApSAcK_ID C00001060 | + | KNApSAcK_ID C00001060 |
| − | NAME Kaempferide | + | NAME Kaempferide |
| − | CAS_RN 491-54-3 | + | CAS_RN 491-54-3 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1 | + | SMILES COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1534 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1534 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6530 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1525 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1525 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6530 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6521 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1516 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1516 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6521 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3485 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8788 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8788 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3485 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6521 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6536 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6530 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3485 -0.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9391 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6536 0.9131 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 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 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
3 19 1 0 0 0 0
8 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -5.3422 4.0338
S SKP 8
ID FL5FABNS0001
KNApSAcK_ID C00001060
NAME Kaempferide
CAS_RN 491-54-3
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1
M END
