Mol:FL2FALNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3201 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3201 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3201 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3201 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7638 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7638 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2075 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2075 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2075 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2075 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7638 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7638 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6512 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6512 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0949 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0949 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0949 -0.0290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0949 -0.0290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6512 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6512 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4612 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4612 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0282 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0282 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5951 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5951 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5951 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5951 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0282 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0282 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4612 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4612 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6512 -1.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6512 -1.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8764 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8764 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2002 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2002 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4858 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4858 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1039 1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1039 1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3962 2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3962 2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1619 1.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1619 1.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8764 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8764 0.8615 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 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 2.1619 1.274 | + | M SVB 3 25 2.1619 1.274 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 0.1039 1.5655 | + | M SVB 2 23 0.1039 1.5655 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -2.2002 -1.153 | + | M SVB 1 21 -2.2002 -1.153 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNS0001 | + | ID FL2FALNS0001 |
| − | KNApSAcK_ID C00008355 | + | KNApSAcK_ID C00008355 |
| − | NAME Cerasinone | + | NAME Cerasinone |
| − | CAS_RN 64166-14-9 | + | CAS_RN 64166-14-9 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES O(C(c(c(OC)3)ccc(OC)c3)2)c(c(C(=O)C2)1)cc(O)cc1OC | + | SMILES O(C(c(c(OC)3)ccc(OC)c3)2)c(c(C(=O)C2)1)cc(O)cc1OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.3201 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7638 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2075 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2075 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7638 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6512 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 -0.0290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6512 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4612 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0282 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0282 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4612 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6512 -1.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8764 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2002 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4858 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1039 1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3962 2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1619 1.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8764 0.8615 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
3 19 1 0 0 0 0
19 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 2.1619 1.274
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 0.1039 1.5655
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.2002 -1.153
S SKP 8
ID FL2FALNS0001
KNApSAcK_ID C00008355
NAME Cerasinone
CAS_RN 64166-14-9
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES O(C(c(c(OC)3)ccc(OC)c3)2)c(c(C(=O)C2)1)cc(O)cc1OC
M END
