Mol:FL5FAAGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.7051 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7051 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7051 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7051 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0039 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0039 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3027 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3027 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3027 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3027 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0039 0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0039 0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6015 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6015 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9003 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9003 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9003 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9003 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6015 0.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6015 0.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6015 -1.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6015 -1.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1993 0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1993 0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5154 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5154 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2301 0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2301 0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2301 1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2301 1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5154 1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5154 1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1993 1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1993 1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4060 0.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4060 0.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0039 -1.7221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0039 -1.7221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0627 -1.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0627 -1.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9915 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9915 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6006 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6006 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3523 -1.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3523 -1.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1086 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1086 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4996 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4996 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7478 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7478 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2803 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2803 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3665 -0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3665 -0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1722 -0.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1722 -0.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9445 1.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9445 1.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3867 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3867 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1086 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1086 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4060 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4060 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8578 -1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8578 -1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0542 -1.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0542 -1.4190 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 24 34 1 0 0 0 0 | + | 24 34 1 0 0 0 0 |
| − | 31 34 1 0 0 0 0 | + | 31 34 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 34 35 | + | M SAL 1 2 34 35 |
| − | M SBL 1 2 37 38 | + | M SBL 1 2 37 38 |
| − | M SMT 1 CO | + | M SMT 1 CO |
| − | M SBV 1 37 -0.7492 -0.0629 | + | M SBV 1 37 -0.7492 -0.0629 |
| − | M SBV 1 38 0.5289 -0.6398 | + | M SBV 1 38 0.5289 -0.6398 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0007 | + | ID FL5FAAGS0007 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES C(C(O)1)(C(=O)OCC)OC(OC(C(=O)3)=C(Oc(c4)c3c(cc4O)O)c(c2)ccc(c2)O)C(O)C(O)1 | + | SMILES C(C(O)1)(C(=O)OCC)OC(OC(C(=O)3)=C(Oc(c4)c3c(cc4O)O)c(c2)ccc(c2)O)C(O)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-3.7051 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7051 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0039 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3027 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3027 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0039 0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6015 -1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6015 0.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6015 -1.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1993 0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5154 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2301 0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2301 1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5154 1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1993 1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4060 0.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0039 -1.7221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0627 -1.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9915 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6006 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3523 -1.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1086 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4996 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7478 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2803 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3665 -0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1722 -0.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9445 1.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3867 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1086 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4060 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8578 -1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0542 -1.4190 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
3 19 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
20 8 1 0 0 0 0
24 23 1 1 0 0 0
15 30 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
34 35 2 0 0 0 0
24 34 1 0 0 0 0
31 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 2 37 38
M SMT 1 CO
M SBV 1 37 -0.7492 -0.0629
M SBV 1 38 0.5289 -0.6398
S SKP 5
ID FL5FAAGS0007
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES C(C(O)1)(C(=O)OCC)OC(OC(C(=O)3)=C(Oc(c4)c3c(cc4O)O)c(c2)ccc(c2)O)C(O)C(O)1
M END
