Mol:FL1C1CNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 21 0 0 0 0 0 0 0 0999 V2000 | + | 20 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2321 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2321 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2321 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2321 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6758 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6758 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1195 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1195 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1195 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1195 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6758 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6758 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5632 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5632 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0069 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0069 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5492 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5492 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1053 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1053 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6663 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6663 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6663 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6663 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1053 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1053 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5632 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5632 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7882 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7882 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7882 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7882 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6758 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6758 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7882 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7882 -0.3280 0.0000 O 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1CNS0001 | + | ID FL1C1CNS0001 |
| − | KNApSAcK_ID C00006941 | + | KNApSAcK_ID C00006941 |
| − | NAME Butein | + | NAME Butein |
| − | CAS_RN 21849-70-7 | + | CAS_RN 21849-70-7 |
| − | FORMULA C15H12O5 | + | FORMULA C15H12O5 |
| − | EXACTMASS 272.068473494 | + | EXACTMASS 272.068473494 |
| − | AVERAGEMASS 272.25278000000003 | + | AVERAGEMASS 272.25278000000003 |
| − | SMILES Oc(c2)cc(O)c(c2)C(=O)C=Cc(c1)cc(O)c(O)c1 | + | SMILES Oc(c2)cc(O)c(c2)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/
20 21 0 0 0 0 0 0 0 0999 V2000
-2.2321 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2321 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 -0.3280 0.0000 O 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
3 19 1 0 0 0 0
12 20 1 0 0 0 0
S SKP 8
ID FL1C1CNS0001
KNApSAcK_ID C00006941
NAME Butein
CAS_RN 21849-70-7
FORMULA C15H12O5
EXACTMASS 272.068473494
AVERAGEMASS 272.25278000000003
SMILES Oc(c2)cc(O)c(c2)C(=O)C=Cc(c1)cc(O)c(O)c1
M END
