Mol:FL5FDAGS0002
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 |
| − | -1.3870 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3870 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3870 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3870 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6725 -1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6725 -1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0419 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0419 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6725 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6725 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7564 -1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7564 -1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4708 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4708 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4708 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4708 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7564 0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7564 0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7578 -2.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7578 -2.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1850 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1850 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9132 -0.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9132 -0.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6414 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6414 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6414 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6414 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9132 1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9132 1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1850 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1850 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1012 0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1012 0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6725 -2.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6725 -2.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3645 1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3645 1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6431 0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6431 0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8363 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8363 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0922 0.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0922 0.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8363 1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8363 1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6431 2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6431 2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3871 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3871 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2671 2.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2671 2.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8363 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8363 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0909 1.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0909 1.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3645 0.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3645 0.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2844 -1.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2844 -1.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8392 -2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8392 -2.7521 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 |
| − | 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 |
| − | 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 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 8 31 1 0 0 0 0 | + | 8 31 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 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -0.8135 0.4697 | + | M SBV 1 35 -0.8135 0.4697 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FDAGS0002 | + | ID FL5FDAGS0002 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES Oc(c3)c(C2=O)c(cc3OC(C4O)OC(C(O)C4O)C)OC(=C2OC)c(c1)ccc(c1)O | + | SMILES Oc(c3)c(C2=O)c(cc3OC(C4O)OC(C(O)C4O)C)OC(=C2OC)c(c1)ccc(c1)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
-1.3870 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3870 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6725 -1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6725 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7564 -1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4708 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4708 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7564 0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7578 -2.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1850 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6414 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6414 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1850 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1012 0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6725 -2.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3645 1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6431 0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8363 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0922 0.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8363 1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6431 2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3871 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2671 2.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8363 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0909 1.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3645 0.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2844 -1.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8392 -2.7521 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
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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
22 18 1 0 0 0 0
31 32 1 0 0 0 0
8 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -0.8135 0.4697
S SKP 5
ID FL5FDAGS0002
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES Oc(c3)c(C2=O)c(cc3OC(C4O)OC(C(O)C4O)C)OC(=C2OC)c(c1)ccc(c1)O
M END
