Mol:FL1C1ANM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3315 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3315 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3315 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3315 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 -0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 -0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2189 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2189 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2189 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2189 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 -0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6626 -0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4498 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4498 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0059 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0059 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5669 -0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5669 -0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1279 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1279 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1279 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1279 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5669 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5669 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0059 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0059 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6626 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2608 1.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2608 1.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 -1.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 -1.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6887 0.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6887 0.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6887 0.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6887 0.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1886 1.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1886 1.6455 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 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.6887 0.7794 | + | M SVB 1 23 -2.6887 0.7794 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANM0002 | + | ID FL1C1ANM0002 |
| − | KNApSAcK_ID C00007039 | + | KNApSAcK_ID C00007039 |
| − | NAME Neobavachalcone | + | NAME Neobavachalcone |
| − | CAS_RN 65621-10-5 | + | CAS_RN 65621-10-5 |
| − | FORMULA C17H14O5 | + | FORMULA C17H14O5 |
| − | EXACTMASS 298.084123558 | + | EXACTMASS 298.084123558 |
| − | AVERAGEMASS 298.29006 | + | AVERAGEMASS 298.29006 |
| − | SMILES O=Cc(c1)c(OC)cc(O)c1C(=O)C=Cc(c2)ccc(O)c2 | + | SMILES O=Cc(c1)c(OC)cc(O)c1C(=O)C=Cc(c2)ccc(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.3315 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2608 1.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -1.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6887 0.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6887 0.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1886 1.6455 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
6 17 1 0 0 0 0
17 18 2 0 0 0 0
21 22 1 0 0 0 0
3 19 1 0 0 0 0
13 20 1 0 0 0 0
1 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.6887 0.7794
S SKP 8
ID FL1C1ANM0002
KNApSAcK_ID C00007039
NAME Neobavachalcone
CAS_RN 65621-10-5
FORMULA C17H14O5
EXACTMASS 298.084123558
AVERAGEMASS 298.29006
SMILES O=Cc(c1)c(OC)cc(O)c1C(=O)C=Cc(c2)ccc(O)c2
M END
