Mol:FL1C1ANI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 25 0 0 0 0 0 0 0 0999 V2000 | + | 24 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0108 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0108 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0108 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0108 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5103 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5103 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0099 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0099 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0099 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0099 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5103 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5103 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4906 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4906 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9910 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9910 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9910 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9910 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4911 0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4911 0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9982 0.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9982 0.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5052 0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5052 0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5052 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5052 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9982 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9982 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4911 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4911 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5109 0.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5109 0.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5103 -1.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5103 -1.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0113 1.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0113 1.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4906 -1.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4906 -1.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5109 -0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5109 -0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0110 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0110 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5112 -0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5112 -0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0113 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0113 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5112 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5112 -1.3055 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0002 | + | ID FL1C1ANI0002 |
| − | KNApSAcK_ID C00002381 | + | KNApSAcK_ID C00002381 |
| − | NAME Isobavachalcone;Corylifolinin;2',4,4'-Trihydroxy-3'-(3-methyl-2-butenyl)chalcone | + | NAME Isobavachalcone;Corylifolinin;2',4,4'-Trihydroxy-3'-(3-methyl-2-butenyl)chalcone |
| − | CAS_RN 20784-50-3 | + | CAS_RN 20784-50-3 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)c(O)c(c(O)c1)CC=C(C)C | + | SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)c(O)c(c(O)c1)CC=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/
24 25 0 0 0 0 0 0 0 0999 V2000
-1.0108 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0108 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5103 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5103 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4906 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9910 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9910 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4911 0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9982 0.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5052 0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5052 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9982 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4911 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5109 0.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5103 -1.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0113 1.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4906 -1.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5109 -0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0110 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5112 -0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0113 -0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5112 -1.3055 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
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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
1 16 1 0 0 0 0
3 17 1 0 0 0 0
13 18 1 0 0 0 0
7 19 2 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
S SKP 8
ID FL1C1ANI0002
KNApSAcK_ID C00002381
NAME Isobavachalcone;Corylifolinin;2',4,4'-Trihydroxy-3'-(3-methyl-2-butenyl)chalcone
CAS_RN 20784-50-3
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)c(O)c(c(O)c1)CC=C(C)C
M END
