Mol:FL1CBANI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 28 0 0 0 0 0 0 0 0999 V2000 | + | 27 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8579 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -2.6812 0.0000 C 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 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 7 23 1 0 0 0 0 | + | 7 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CBANI0002 | + | ID FL1CBANI0002 |
| − | KNApSAcK_ID C00014472 | + | KNApSAcK_ID C00014472 |
| − | NAME Xanthohumol D;3'-(2-Hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxy-6'-methoxychalcone | + | NAME Xanthohumol D;3'-(2-Hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxy-6'-methoxychalcone |
| − | CAS_RN 274675-25-1 | + | CAS_RN 274675-25-1 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES CC(=C)C(O)Cc(c1O)c(O)cc(c1C(=O)C=Cc(c2)ccc(O)c2)OC | + | SMILES CC(=C)C(O)Cc(c1O)c(O)cc(c1C(=O)C=Cc(c2)ccc(O)c2)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 0 0 0 0 0 0999 V2000
-2.8579 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.6812 0.0000 C 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
6 7 1 0 0 0 0
2 8 1 0 0 0 0
4 9 1 0 0 0 0
5 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
7 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
S SKP 8
ID FL1CBANI0002
KNApSAcK_ID C00014472
NAME Xanthohumol D;3'-(2-Hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxy-6'-methoxychalcone
CAS_RN 274675-25-1
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES CC(=C)C(O)Cc(c1O)c(O)cc(c1C(=O)C=Cc(c2)ccc(O)c2)OC
M END
