Mol:FLIC1LNS0002
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9047 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9047 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9047 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9047 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4043 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4043 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9038 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9038 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9038 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9038 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4043 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4043 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4034 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4034 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0971 0.2883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.0971 0.2883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.0971 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0971 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4034 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4034 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5972 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5972 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5972 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5972 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0613 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0613 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5254 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5254 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5254 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5254 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0613 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0613 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3459 1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3459 1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8042 0.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8042 0.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2688 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2688 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1348 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1348 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3914 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3914 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2574 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2574 -1.5365 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 8 18 1 6 0 0 0 | + | 8 18 1 6 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 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 1.6314 -0.7426 | + | M SVB 2 23 1.6314 -0.7426 |
| − | 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 -0.1173 -0.3913 | + | M SVB 1 21 -0.1173 -0.3913 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNS0002 | + | ID FLIC1LNS0002 |
| − | KNApSAcK_ID C00002570 | + | KNApSAcK_ID C00002570 |
| − | NAME (-)-Sativan | + | NAME (-)-Sativan |
| − | CAS_RN 41743-86-6 | + | CAS_RN 41743-86-6 |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c3)cc(OC)c(c3)[C@]([H])(C1)Cc(c2)c(cc(O)c2)O1 | + | SMILES COc(c3)cc(OC)c(c3)[C@]([H])(C1)Cc(c2)c(cc(O)c2)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.9047 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9047 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0971 0.2883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0971 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5254 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5254 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3459 1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8042 0.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2688 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1348 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3914 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2574 -1.5365 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 17 1 0 0 0 0
8 18 1 6 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
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 1.6314 -0.7426
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 -0.1173 -0.3913
S SKP 8
ID FLIC1LNS0002
KNApSAcK_ID C00002570
NAME (-)-Sativan
CAS_RN 41743-86-6
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c3)cc(OC)c(c3)[C@]([H])(C1)Cc(c2)c(cc(O)c2)O1
M END
