Mol:FL3FFGGS0001
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 |
| − | -0.4748 -0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4748 -0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4748 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4748 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2263 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2263 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9273 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9273 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9273 -0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9273 -0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2263 0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2263 0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6284 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6284 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3295 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3295 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3295 -0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3295 -0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6284 0.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6284 0.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6284 -2.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6284 -2.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0303 0.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0303 0.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7448 -0.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7448 -0.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4592 0.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4592 0.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4592 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4592 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7448 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7448 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0303 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0303 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2263 -2.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2263 -2.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1737 1.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1737 1.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1737 -0.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1737 -0.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1916 0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1916 0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7448 2.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7448 2.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3314 0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3314 0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6902 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6902 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8068 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8068 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8762 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8762 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5235 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5235 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3802 -0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3802 -0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0482 -0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0482 -0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4820 -0.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4820 -0.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0084 -0.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0084 -0.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2263 0.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2263 0.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1479 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1479 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1737 0.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1737 0.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6332 1.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6332 1.4211 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 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 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 6 32 1 0 0 0 0 | + | 6 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 |
| − | 28 33 1 0 0 0 0 | + | 28 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 0.7677 -0.6162 | + | M SBV 1 38 0.7677 -0.6162 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FFGGS0001 | + | ID FL3FFGGS0001 |
| − | FORMULA C21H18O14 | + | FORMULA C21H18O14 |
| − | EXACTMASS 494.06965528399996 | + | EXACTMASS 494.06965528399996 |
| − | AVERAGEMASS 494.35922 | + | AVERAGEMASS 494.35922 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)2)c1OC(c(c3)cc(O)c(O)c(O)3)=C2)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)2)c1OC(c(c3)cc(O)c(O)c(O)3)=C2)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
-0.4748 -0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4748 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2263 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9273 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9273 -0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2263 0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6284 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3295 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3295 -0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6284 0.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6284 -2.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0303 0.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7448 -0.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4592 0.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4592 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7448 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0303 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2263 -2.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1737 1.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1737 -0.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1916 0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7448 2.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3314 0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6902 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8068 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8762 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5235 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3802 -0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0482 -0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4820 -0.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0084 -0.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2263 0.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1479 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1737 0.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6332 1.4211 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
21 1 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 21 1 0 0 0 0
6 32 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
28 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 0.7677 -0.6162
S SKP 5
ID FL3FFGGS0001
FORMULA C21H18O14
EXACTMASS 494.06965528399996
AVERAGEMASS 494.35922
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)2)c1OC(c(c3)cc(O)c(O)c(O)3)=C2)O)O
M END
