Mol:FL5FAGGS0005
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 |
| − | -3.5351 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5351 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5351 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5351 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8339 -1.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8339 -1.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1327 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1327 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1327 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1327 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8339 0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8339 0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4314 -1.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4314 -1.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7302 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7302 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7302 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7302 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4314 0.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4314 0.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4314 -1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4314 -1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0292 0.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0292 0.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6855 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6855 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4002 0.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4002 0.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4002 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4002 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6855 1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6855 1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0292 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0292 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2361 0.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2361 0.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0017 -1.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0017 -1.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4046 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4046 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9159 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9159 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8556 -1.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8556 -1.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8010 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8010 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2897 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2897 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3500 -1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3500 -1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5965 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5965 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9507 -0.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9507 -0.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0123 -1.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0123 -1.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1146 1.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1146 1.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8339 -1.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8339 -1.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6855 2.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6855 2.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1146 0.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1146 0.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7161 -1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7161 -1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2361 -0.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2361 -0.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2361 -2.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2361 -2.4984 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 23 33 1 0 0 0 0 | + | 23 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 3 33 34 35 | + | M SAL 1 3 33 34 35 |
| − | M SBL 1 1 38 | + | M SBL 1 1 38 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 38 -0.9151 -0.1017 | + | M SBV 1 38 -0.9151 -0.1017 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0005 | + | ID FL5FAGGS0005 |
| − | FORMULA C21H18O14 | + | FORMULA C21H18O14 |
| − | EXACTMASS 494.06965528399996 | + | EXACTMASS 494.06965528399996 |
| − | AVERAGEMASS 494.35922 | + | AVERAGEMASS 494.35922 |
| − | SMILES C(C(C(O)=O)1)(O)C(C(C(OC(=C3c(c4)cc(O)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)O1)O)O | + | SMILES C(C(C(O)=O)1)(O)C(C(C(OC(=C3c(c4)cc(O)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)O1)O)O |
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
-3.5351 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5351 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8339 -1.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1327 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1327 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8339 0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4314 -1.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7302 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7302 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4314 0.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4314 -1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0292 0.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6855 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4002 0.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4002 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6855 1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0292 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2361 0.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 -1.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4046 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9159 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8556 -1.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8010 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2897 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3500 -1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5965 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9507 -0.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0123 -1.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1146 1.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8339 -1.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6855 2.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1146 0.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7161 -1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2361 -0.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2361 -2.4984 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
20 21 1 0 0 0 0
21 22 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
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
14 32 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
23 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 33 34 35
M SBL 1 1 38
M SMT 1 COOH
M SBV 1 38 -0.9151 -0.1017
S SKP 5
ID FL5FAGGS0005
FORMULA C21H18O14
EXACTMASS 494.06965528399996
AVERAGEMASS 494.35922
SMILES C(C(C(O)=O)1)(O)C(C(C(OC(=C3c(c4)cc(O)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)O1)O)O
M END
