Mol:FL5FEAGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9345 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9345 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9345 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9345 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2199 -1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2199 -1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4947 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4947 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4947 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4947 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2199 0.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2199 0.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2091 -1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2091 -1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9237 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9237 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9237 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9237 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2091 0.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2091 0.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2105 -1.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2105 -1.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6380 0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6380 0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3662 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3662 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0945 0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0945 0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0945 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0945 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3662 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3662 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6380 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6380 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6488 0.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6488 0.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4804 -1.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4804 -1.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8225 1.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8225 1.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2199 -1.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2199 -1.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2830 0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2830 0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7623 -0.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7623 -0.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0123 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0123 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2307 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2307 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8146 0.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8146 0.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5805 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5805 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8225 0.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8225 0.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4381 -0.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4381 -0.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3337 -0.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3337 -0.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5414 -1.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5414 -1.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9893 -1.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9893 -1.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1308 1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1308 1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2607 1.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2607 1.9603 0.0000 O 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 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 0.6069 0.3790 | + | M SBV 1 35 0.6069 0.3790 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 37 0.5503 -0.5135 | + | M SBV 2 37 0.5503 -0.5135 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FEAGS0008 | + | ID FL5FEAGS0008 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES COc(c3OC(C(O)4)OC(CO)C(C4O)O)c(c(C2=O)c(c3)OC(=C2O)c(c1)ccc(c1)O)O | + | SMILES COc(c3OC(C(O)4)OC(CO)C(C4O)O)c(c(C2=O)c(c3)OC(=C2O)c(c1)ccc(c1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.9345 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9345 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2199 -1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4947 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4947 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2199 0.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2091 -1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9237 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9237 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2091 0.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2105 -1.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3662 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0945 0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0945 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3662 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6488 0.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4804 -1.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8225 1.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2199 -1.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2830 0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7623 -0.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0123 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2307 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8146 0.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5805 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8225 0.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4381 -0.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3337 -0.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5414 -1.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9893 -1.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1308 1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2607 1.9603 0.0000 O 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
20 15 1 0 0 0 0
3 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
31 32 1 0 0 0 0
2 31 1 0 0 0 0
33 34 1 0 0 0 0
27 33 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 0.6069 0.3790
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 ^ CH2OH
M SBV 2 37 0.5503 -0.5135
S SKP 5
ID FL5FEAGS0008
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES COc(c3OC(C(O)4)OC(CO)C(C4O)O)c(c(C2=O)c(c3)OC(=C2O)c(c1)ccc(c1)O)O
M END
