Mol:FLIEBANP0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 31 0 0 0 0 0 0 0 0999 V2000 | + | 27 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4263 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4263 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4263 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4263 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8700 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8700 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3137 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3137 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3137 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3137 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8700 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8700 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2426 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2426 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7989 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7989 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2426 0.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2426 0.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3550 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3550 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3550 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3550 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9498 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9498 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5446 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5446 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5446 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5446 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9498 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9498 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2443 -1.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2443 -1.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7989 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7989 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3551 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3551 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1388 -1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1388 -1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9824 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9824 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5373 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5373 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9824 0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9824 0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5373 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5373 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5373 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5373 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1388 0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1388 0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3064 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3064 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5919 -0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5919 -0.9323 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 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 1 0 0 0 0 | + | 7 16 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 8 17 1 0 0 0 0 | + | 8 17 1 0 0 0 0 |
| − | 17 9 1 0 0 0 0 | + | 17 9 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 30 -8.3967 2.9807 | + | M SBV 1 30 -8.3967 2.9807 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIEBANP0001 | + | ID FLIEBANP0001 |
| − | KNApSAcK_ID C00010062 | + | KNApSAcK_ID C00010062 |
| − | NAME Gancaonin F | + | NAME Gancaonin F |
| − | CAS_RN 126716-33-4 | + | CAS_RN 126716-33-4 |
| − | FORMULA C21H16O6 | + | FORMULA C21H16O6 |
| − | EXACTMASS 364.094688244 | + | EXACTMASS 364.094688244 |
| − | AVERAGEMASS 364.34814 | + | AVERAGEMASS 364.34814 |
| − | SMILES c(c4)(c(c(OC)c(C=5)c4OC(C5)(C)C)3)OC(c(c23)c(c1)c(o2)cc(O)c1)=O | + | SMILES c(c4)(c(c(OC)c(C=5)c4OC(C5)(C)C)3)OC(c(c23)c(c1)c(o2)cc(O)c1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 31 0 0 0 0 0 0 0 0999 V2000
-1.4263 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4263 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8700 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3137 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3137 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8700 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2426 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7989 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2426 0.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3550 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3550 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9498 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5446 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5446 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9498 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2443 -1.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7989 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3551 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1388 -1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9824 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5373 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9824 0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5373 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5373 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1388 0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3064 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5919 -0.9323 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 2 0 0 0 0
9 5 1 0 0 0 0
8 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 1 0 0 0 0
11 16 1 0 0 0 0
8 17 1 0 0 0 0
17 9 1 0 0 0 0
17 18 2 0 0 0 0
13 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 2 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 21 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 30
M SMT 1 OCH3
M SBV 1 30 -8.3967 2.9807
S SKP 8
ID FLIEBANP0001
KNApSAcK_ID C00010062
NAME Gancaonin F
CAS_RN 126716-33-4
FORMULA C21H16O6
EXACTMASS 364.094688244
AVERAGEMASS 364.34814
SMILES c(c4)(c(c(OC)c(C=5)c4OC(C5)(C)C)3)OC(c(c23)c(c1)c(o2)cc(O)c1)=O
M END
