Mol:FL5FFAGS0025
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 |
| − | 1.1286 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1286 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1582 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1582 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3183 -0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3183 -0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1582 2.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1582 2.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 -0.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 -0.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 2.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 2.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2295 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2295 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2295 -1.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2295 -1.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9546 -2.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9546 -2.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3224 -1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3224 -1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5947 -1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5947 -1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9546 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9546 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3645 -1.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3645 -1.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5947 -2.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5947 -2.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1652 -2.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1652 -2.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7559 -1.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7559 -1.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4176 -2.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4176 -2.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1652 -2.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1652 -2.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 27 23 1 1 0 0 0 | + | 27 23 1 1 0 0 0 |
| − | 26 28 1 1 0 0 0 | + | 26 28 1 1 0 0 0 |
| − | 28 25 1 0 0 0 0 | + | 28 25 1 0 0 0 0 |
| − | 29 26 1 0 0 0 0 | + | 29 26 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 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 |
| − | 31 34 1 6 0 0 0 | + | 31 34 1 6 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0025 | + | ID FL5FFAGS0025 |
| − | FORMULA C21H19HO12 | + | FORMULA C21H19HO12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(O3)C(C(C3(C(O)CO)[H])O)O)C2=O)c(c1)ccc(O)c1 | + | SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(O3)C(C(C3(C(O)CO)[H])O)O)C2=O)c(c1)ccc(O)c1 |
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
1.1286 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 -0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 2.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 -0.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 2.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2295 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2295 -1.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9546 -2.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3224 -1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5947 -1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9546 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3645 -1.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5947 -2.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1652 -2.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7559 -1.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4176 -2.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1652 -2.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
13 22 1 0 0 0 0
28 23 1 1 0 0 0
27 23 1 1 0 0 0
26 28 1 1 0 0 0
28 25 1 0 0 0 0
29 26 1 0 0 0 0
27 29 1 0 0 0 0
23 24 1 0 0 0 0
19 26 1 0 0 0 0
27 30 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
31 34 1 6 0 0 0
S SKP 5
ID FL5FFAGS0025
FORMULA C21H19HO12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(O3)C(C(C3(C(O)CO)[H])O)O)C2=O)c(c1)ccc(O)c1
M END
