Mol:FL1C19NP0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.2874 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2874 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2874 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2874 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8437 -0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8437 -0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4000 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4000 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4000 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4000 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8437 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8437 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1542 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1542 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7105 -0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7105 -0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5981 -0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5981 -0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0372 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0372 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5981 -1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5981 -1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0372 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0372 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4845 0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4845 0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0681 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0681 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0681 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0681 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4845 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4845 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4845 -1.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4845 -1.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6208 0.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6208 0.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1734 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1734 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1734 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1734 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6208 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6208 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8196 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8196 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4650 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4650 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1104 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1104 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7558 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7558 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4000 0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4000 0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7558 1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7558 1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1734 1.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1734 1.0487 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 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 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C19NP0005 | + | ID FL1C19NP0005 |
| − | KNApSAcK_ID C00007121 | + | KNApSAcK_ID C00007121 |
| − | NAME Spinochalcone B | + | NAME Spinochalcone B |
| − | CAS_RN 145039-93-6 | + | CAS_RN 145039-93-6 |
| − | FORMULA C25H26O3 | + | FORMULA C25H26O3 |
| − | EXACTMASS 374.18819469799996 | + | EXACTMASS 374.18819469799996 |
| − | AVERAGEMASS 374.47213999999997 | + | AVERAGEMASS 374.47213999999997 |
| − | SMILES C(C(c(c3)c(c(c(c3)2)C=CC(CCC=C(C)C)(O2)C)O)=O)=Cc(c1)cccc1 | + | SMILES C(C(c(c3)c(c(c(c3)2)C=CC(CCC=C(C)C)(O2)C)O)=O)=Cc(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
3.2874 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2874 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8437 -0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4000 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4000 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8437 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1542 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7105 -0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5981 -0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0372 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5981 -1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0372 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4845 0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0681 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0681 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4845 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4845 -1.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 0.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8196 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4650 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1104 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7558 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4000 0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7558 1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 1.0487 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
19 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
19 28 1 0 0 0 0
S SKP 8
ID FL1C19NP0005
KNApSAcK_ID C00007121
NAME Spinochalcone B
CAS_RN 145039-93-6
FORMULA C25H26O3
EXACTMASS 374.18819469799996
AVERAGEMASS 374.47213999999997
SMILES C(C(c(c3)c(c(c(c3)2)C=CC(CCC=C(C)C)(O2)C)O)=O)=Cc(c1)cccc1
M END
