Mol:FL3FCDGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4078 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4078 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4078 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4078 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7068 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7068 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0057 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0057 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0057 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0057 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7068 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7068 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6953 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6953 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3964 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3964 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3964 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3964 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6953 0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6953 0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7160 -1.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7160 -1.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0972 0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0972 0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8116 0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8116 0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5263 0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5263 0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5263 1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5263 1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8116 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8116 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0972 1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0972 1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2775 2.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2775 2.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7054 -1.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7054 -1.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9308 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9308 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5333 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5333 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3747 -3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3747 -3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2091 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2091 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6063 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6063 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7652 -2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7652 -2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8723 -2.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8723 -2.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2775 -3.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2775 -3.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9270 -3.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9270 -3.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2269 -4.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2269 -4.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9411 0.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9411 0.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7182 2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7182 2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8403 2.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8403 2.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4441 4.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4441 4.2173 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 34 0.5333 -0.4035 | + | M SBV 1 34 0.5333 -0.4035 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 -0.0287 -0.7222 | + | M SBV 2 36 -0.0287 -0.7222 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCDGS0001 | + | ID FL3FCDGS0001 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | AVERAGEMASS 460.43066 |
| − | SMILES C(C3=O)=C(c(c4)cc(c(c4)O)OC)Oc(c31)cc(OC)cc1OC(O2)C(C(C(O)C2C)O)O | + | SMILES C(C3=O)=C(c(c4)cc(c(c4)O)OC)Oc(c31)cc(OC)cc1OC(O2)C(C(C(O)C2C)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.4078 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4078 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7068 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7068 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6953 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3964 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3964 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6953 0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7160 -1.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0972 0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8116 0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5263 0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5263 1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8116 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0972 1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2775 2.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7054 -1.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9308 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5333 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3747 -3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2091 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7652 -2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8723 -2.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2775 -3.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9270 -3.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -4.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9411 0.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7182 2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8403 2.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4441 4.2173 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
18 15 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
30 31 1 0 0 0 0
1 30 1 0 0 0 0
32 33 1 0 0 0 0
16 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^ OCH3
M SBV 1 34 0.5333 -0.4035
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -0.0287 -0.7222
S SKP 5
ID FL3FCDGS0001
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES C(C3=O)=C(c(c4)cc(c(c4)O)OC)Oc(c31)cc(OC)cc1OC(O2)C(C(C(O)C2C)O)O
M END
