Mol:FL5FADGS0002
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 |
| − | -2.4890 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4890 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4890 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4890 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7879 -0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7879 -0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0869 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0869 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0869 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0869 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7879 0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7879 0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3858 -0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3858 -0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3152 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3152 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3152 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3152 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3858 0.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3858 0.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3858 -1.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3858 -1.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0161 0.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0161 0.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7306 0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7306 0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4452 0.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4452 0.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4452 1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4452 1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7305 2.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7305 2.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0160 1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0160 1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1898 0.8478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1898 0.8478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0445 -0.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0445 -0.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5544 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5544 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8059 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8059 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9072 -2.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9072 -2.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4787 -3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4787 -3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2271 -3.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2271 -3.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1259 -3.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1259 -3.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4511 -1.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4511 -1.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5651 -3.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5651 -3.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0361 -3.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0361 -3.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1898 2.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1898 2.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7879 -1.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7879 -1.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7305 2.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7305 2.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2868 3.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2868 3.9976 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 |
| − | 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 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 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 0.0000 -0.7815 | + | M SBV 1 35 0.0000 -0.7815 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0002 | + | ID FL5FADGS0002 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)OC | + | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)OC |
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
-2.4890 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4890 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7879 -0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0869 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0869 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7879 0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3858 -0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3152 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3152 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3858 0.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3858 -1.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0161 0.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7306 0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4452 0.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4452 1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7305 2.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0160 1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1898 0.8478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0445 -0.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5544 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8059 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9072 -2.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4787 -3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2271 -3.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1259 -3.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4511 -1.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 -3.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0361 -3.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1898 2.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7879 -1.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7305 2.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2868 3.9976 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
22 23 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
31 32 1 0 0 0 0
16 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 0.0000 -0.7815
S SKP 5
ID FL5FADGS0002
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)OC
M END
