Mol:FL1C1CNS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2321 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2321 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2321 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2321 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6758 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6758 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1195 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1195 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1195 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1195 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6758 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6758 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5632 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5632 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0069 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0069 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5492 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5492 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1053 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1053 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6663 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6663 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2273 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2273 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2273 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2273 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6663 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6663 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1053 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1053 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5632 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5632 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7882 0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7882 0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7882 0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7882 0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7882 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7882 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1122 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1122 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3977 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3977 -0.9329 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 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 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 21 -5.4075 2.4231 | + | M SBV 1 21 -5.4075 2.4231 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1CNS0004 | + | ID FL1C1CNS0004 |
| − | KNApSAcK_ID C00006944 | + | KNApSAcK_ID C00006944 |
| − | NAME Sappanchalcone | + | NAME Sappanchalcone |
| − | CAS_RN 94344-54-4 | + | CAS_RN 94344-54-4 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES COc(c2)c(ccc(O)2)C(=O)C=Cc(c1)cc(O)c(O)c1 | + | SMILES COc(c2)c(ccc(O)2)C(=O)C=Cc(c1)cc(O)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.2321 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2321 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3977 -0.9329 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 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
7 16 2 0 0 0 0
13 17 1 0 0 0 0
1 18 1 0 0 0 0
12 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -5.4075 2.4231
S SKP 8
ID FL1C1CNS0004
KNApSAcK_ID C00006944
NAME Sappanchalcone
CAS_RN 94344-54-4
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c2)c(ccc(O)2)C(=O)C=Cc(c1)cc(O)c(O)c1
M END
