Mol:FL3FADGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1079 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1079 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1079 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1079 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4067 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4067 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2942 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2942 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2942 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2942 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4067 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4067 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9953 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9953 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6964 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6964 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6964 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6964 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9953 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9953 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0161 -2.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0161 -2.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3972 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3972 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1117 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1117 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8262 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8262 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8262 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8262 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1117 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1117 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3972 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3972 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4067 -2.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4067 -2.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4743 0.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4743 0.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8074 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8074 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6508 -0.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6508 -0.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6745 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6745 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9842 0.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9842 0.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6745 1.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6745 1.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6508 2.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6508 2.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3411 1.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3411 1.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2441 2.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2441 2.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7651 2.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7651 2.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0942 1.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0942 1.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4743 -0.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4743 -0.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1196 1.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1196 1.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7233 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7233 2.9083 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -0.0079 -0.7429 | + | M SBV 1 35 -0.0079 -0.7429 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FADGS0003 | + | ID FL3FADGS0003 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES c(c4O)(cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC(C1O)OC(C(O)C1O)C)O)=O)OC | + | SMILES c(c4O)(cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC(C1O)OC(C(O)C1O)C)O)=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.1079 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1079 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4067 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2942 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2942 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4067 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9953 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6964 -1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6964 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9953 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0161 -2.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3972 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1117 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8262 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8262 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1117 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3972 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4067 -2.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4743 0.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8074 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6508 -0.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6745 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9842 0.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6745 1.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6508 2.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3411 1.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2441 2.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7651 2.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0942 1.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4743 -0.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1196 1.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7233 2.9083 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
1 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
22 20 1 0 0 0 0
31 32 1 0 0 0 0
16 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -0.0079 -0.7429
S SKP 5
ID FL3FADGS0003
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES c(c4O)(cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC(C1O)OC(C(O)C1O)C)O)=O)OC
M END
