Mol:FL2FF9GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4179 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4179 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4179 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4179 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2965 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2965 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0110 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0110 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0110 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0110 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2965 0.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2965 0.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7254 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7254 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4399 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4399 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4399 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4399 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7254 0.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7254 0.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1541 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1541 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8823 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8823 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6104 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6104 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6104 1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6104 1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8823 1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8823 1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1541 1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1541 1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7254 -1.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7254 -1.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1321 0.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1321 0.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2965 -2.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2965 -2.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6187 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6187 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1741 -0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1741 -0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5337 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5337 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8663 0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8663 0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3648 0.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3648 0.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0189 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0189 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2660 0.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2660 0.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8246 -0.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8246 -0.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8561 -0.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8561 -0.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2965 1.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2965 1.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6230 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6230 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6104 -0.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6104 -0.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8406 2.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8406 2.0265 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 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 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 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 30 31 32 | + | M SAL 1 3 30 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
| − | M SBV 1 35 0.6041 -0.5242 | + | M SBV 1 35 0.6041 -0.5242 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FF9GS0001 | + | ID FL2FF9GS0001 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)3)c1OC(C3)c(c2)cccc2)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)3)c1OC(C3)c(c2)cccc2)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.4179 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2965 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0110 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0110 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2965 0.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7254 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4399 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4399 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7254 0.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1541 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8823 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6104 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6104 1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8823 1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1541 1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7254 -1.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1321 0.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2965 -2.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6187 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1741 -0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5337 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8663 0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3648 0.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0189 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2660 0.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8246 -0.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8561 -0.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2965 1.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6230 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6104 -0.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8406 2.0265 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 18 1 0 0 0 0
6 29 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
25 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^ COOH
M SBV 1 35 0.6041 -0.5242
S SKP 5
ID FL2FF9GS0001
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)3)c1OC(C3)c(c2)cccc2)O)O
M END
