Mol:FL1CA9NI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.5617 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5617 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5617 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5617 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1180 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1180 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6743 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6743 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6743 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6743 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1180 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1180 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3047 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3047 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8610 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8610 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7486 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7486 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1877 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1877 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7486 -0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7486 -0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1877 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1877 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3650 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3650 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9176 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9176 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9176 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9176 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3650 -0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3650 -0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3650 -0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3650 -0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4701 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4701 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0215 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5728 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5728 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1241 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1241 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6743 0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6743 0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1241 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1241 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7614 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7614 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4759 0.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4759 0.5594 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 |
| − | 17 16 1 0 0 0 0 | + | 17 16 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 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 25 -4.4504 4.3873 | + | M SBV 1 25 -4.4504 4.3873 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NI0006 | + | ID FL1CA9NI0006 |
| − | KNApSAcK_ID C00007087 | + | KNApSAcK_ID C00007087 |
| − | NAME 2'-Hydroxy-6'-methoxy-4'-prenyloxychalcone | + | NAME 2'-Hydroxy-6'-methoxy-4'-prenyloxychalcone |
| − | CAS_RN 96386-70-8 | + | CAS_RN 96386-70-8 |
| − | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
| − | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
| − | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
| − | SMILES COc(c(C(=O)C=Cc(c2)cccc2)1)cc(cc1O)OCC=C(C)C | + | SMILES COc(c(C(=O)C=Cc(c2)cccc2)1)cc(cc1O)OCC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
2.5617 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5617 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1180 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6743 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6743 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1180 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3047 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8610 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7486 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7486 -0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3650 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9176 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9176 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3650 -0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3650 -0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4701 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5728 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1241 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6743 0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1241 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7614 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4759 0.5594 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
17 16 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 22 1 0 0 0 0
21 23 1 0 0 0 0
12 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 25
M SMT 1 OCH3
M SBV 1 25 -4.4504 4.3873
S SKP 8
ID FL1CA9NI0006
KNApSAcK_ID C00007087
NAME 2'-Hydroxy-6'-methoxy-4'-prenyloxychalcone
CAS_RN 96386-70-8
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES COc(c(C(=O)C=Cc(c2)cccc2)1)cc(cc1O)OCC=C(C)C
M END
