Mol:FLIA1ACS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4469 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4469 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4469 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4469 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7325 -1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7325 -1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0181 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0181 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0181 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0181 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7325 -0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7325 -0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3037 -1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3037 -1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4107 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4107 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4107 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4107 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3037 -0.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3037 -0.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3037 -2.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3037 -2.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0671 -0.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0671 -0.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3378 0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3378 0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6085 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6085 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8400 1.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8400 1.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6085 2.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6085 2.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3378 2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3378 2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1065 1.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1065 1.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1368 3.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1368 3.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6498 2.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6498 2.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6718 2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6718 2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3023 0.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3023 0.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4399 1.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4399 1.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2484 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2484 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9390 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9390 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2683 2.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2683 2.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1778 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1778 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9306 -3.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9306 -3.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6835 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6835 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6835 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6835 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9306 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9306 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1778 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1778 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4357 -3.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4357 -3.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1881 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1881 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9390 -3.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9390 -3.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1881 -1.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1881 -1.8938 0.0000 C 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 14 13 1 1 0 0 0 | + | 14 13 1 1 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
| − | 18 13 1 1 0 0 0 | + | 18 13 1 1 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 14 6 1 0 0 0 0 | + | 14 6 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 32 8 1 0 0 0 0 | + | 32 8 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FLIA1ACS0003 | + | ID FLIA1ACS0003 |
| − | FORMULA C25H24O11 | + | FORMULA C25H24O11 |
| − | EXACTMASS 500.13186161 | + | EXACTMASS 500.13186161 |
| − | AVERAGEMASS 500.45146 | + | AVERAGEMASS 500.45146 |
| − | SMILES C(C(O1)C(O)C(C(C1c(c32)c(ccc(C(C(c(c4)ccc(OC(C)=O)c4)=CO3)=O)2)O)O)O)OC(C)=O | + | SMILES C(C(O1)C(O)C(C(C1c(c32)c(ccc(C(C(c(c4)ccc(OC(C)=O)c4)=CO3)=O)2)O)O)O)OC(C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-2.4469 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4469 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7325 -1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0181 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0181 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7325 -0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3037 -1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4107 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4107 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3037 -0.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3037 -2.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0671 -0.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3378 0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6085 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8400 1.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6085 2.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3378 2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1065 1.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1368 3.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6498 2.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6718 2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3023 0.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4399 1.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2484 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9390 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2683 2.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1778 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9306 -3.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6835 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6835 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9306 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1778 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4357 -3.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1881 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9390 -3.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1881 -1.8938 0.0000 C 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
1 12 1 0 0 0 0
14 13 1 1 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 1 0 0 0
18 13 1 1 0 0 0
17 19 1 0 0 0 0
16 20 1 0 0 0 0
18 21 1 0 0 0 0
15 22 1 0 0 0 0
14 6 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 27 1 0 0 0 0
32 8 1 0 0 0 0
29 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
S SKP 5
ID FLIA1ACS0003
FORMULA C25H24O11
EXACTMASS 500.13186161
AVERAGEMASS 500.45146
SMILES C(C(O1)C(O)C(C(C1c(c32)c(ccc(C(C(c(c4)ccc(OC(C)=O)c4)=CO3)=O)2)O)O)O)OC(C)=O
M END
