Mol:FL4DAAGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5021 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5021 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7876 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7876 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0731 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0731 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0731 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0731 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7876 0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7876 0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5021 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5021 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6414 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6414 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3557 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3557 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3557 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3557 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6414 0.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6414 0.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6414 -2.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6414 -2.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1509 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1509 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8762 -0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8762 -0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6014 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6014 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6014 1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6014 1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8762 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8762 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1509 1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1509 1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2335 0.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2335 0.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9981 -1.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9981 -1.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3266 1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3266 1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7876 -2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7876 -2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5916 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5916 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9053 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9053 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2707 0.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2707 0.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2600 1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2600 1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9463 1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9463 1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5810 0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5810 0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9199 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9199 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4116 1.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4116 1.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3266 1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3266 1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2045 0.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2045 0.0514 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DAAGS0007 | + | ID FL4DAAGS0007 |
| − | FORMULA C21H22O10 | + | FORMULA C21H22O10 |
| − | EXACTMASS 434.121296924 | + | EXACTMASS 434.121296924 |
| − | AVERAGEMASS 434.39338 | + | AVERAGEMASS 434.39338 |
| − | SMILES c(c4)c(ccc(O)4)C(C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)1)O | + | SMILES c(c4)c(ccc(O)4)C(C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.5021 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7876 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0731 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0731 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7876 0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5021 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6414 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3557 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3557 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6414 0.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6414 -2.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1509 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8762 -0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6014 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6014 1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8762 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1509 1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2335 0.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9981 -1.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3266 1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7876 -2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5916 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9053 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2707 0.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2600 1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9463 1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5810 0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9199 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4116 1.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3266 1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2045 0.0514 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 1 0 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
18 23 1 0 0 0 0
S SKP 5
ID FL4DAAGS0007
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES c(c4)c(ccc(O)4)C(C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)1)O
M END
