Mol:FL6DADGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4939 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4939 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4939 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4939 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7793 -1.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7793 -1.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0649 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0649 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0649 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0649 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7793 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7793 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3503 -1.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3503 -1.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3641 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3641 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3641 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3641 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3503 0.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3503 0.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0784 0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0784 0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8066 0.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8066 0.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5348 0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5348 0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5348 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5348 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8066 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8066 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0784 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0784 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3503 -1.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3503 -1.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2066 0.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2066 0.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2066 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2066 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7793 -2.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7793 -2.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9600 -1.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9600 -1.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7063 -2.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7063 -2.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3940 -3.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3940 -3.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1758 -2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1758 -2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3940 -1.4963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3940 -1.4963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7063 -1.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7063 -1.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9244 -1.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9244 -1.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8881 -1.8238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8881 -1.8238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8658 -3.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8658 -3.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4036 -3.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4036 -3.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7323 -2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7323 -2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8066 2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8066 2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3736 3.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3736 3.6192 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 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 6 0 0 0 | + | 9 11 1 6 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 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 8 21 1 1 0 0 0 | + | 8 21 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 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 32 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 36 0.0000 -0.7022 | + | M SBV 1 36 0.0000 -0.7022 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL6DADGS0001 | + | ID FL6DADGS0001 |
| − | FORMULA C22H26O11 | + | FORMULA C22H26O11 |
| − | EXACTMASS 466.147511674 | + | EXACTMASS 466.147511674 |
| − | AVERAGEMASS 466.43524 | + | AVERAGEMASS 466.43524 |
| − | SMILES c(C(O)2)(c1O)c(OC(c(c4)cc(OC)c(O)c4)C2OC(O3)C(O)C(C(O)C(C)3)O)cc(c1)O | + | SMILES c(C(O)2)(c1O)c(OC(c(c4)cc(OC)c(O)c4)C2OC(O3)C(O)C(C(O)C(C)3)O)cc(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.4939 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4939 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7793 -1.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0649 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0649 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7793 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3503 -1.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3641 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3641 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3503 0.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0784 0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8066 0.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5348 0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5348 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8066 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0784 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3503 -1.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2066 0.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2066 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7793 -2.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -1.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7063 -2.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3940 -3.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1758 -2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3940 -1.4963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7063 -1.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9244 -1.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8881 -1.8238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8658 -3.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4036 -3.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7323 -2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8066 2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 3.6192 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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 1 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
8 21 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 1 0 0 0 0
32 33 1 0 0 0 0
15 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 OCH3
M SBV 1 36 0.0000 -0.7022
S SKP 5
ID FL6DADGS0001
FORMULA C22H26O11
EXACTMASS 466.147511674
AVERAGEMASS 466.43524
SMILES c(C(O)2)(c1O)c(OC(c(c4)cc(OC)c(O)c4)C2OC(O3)C(O)C(C(O)C(C)3)O)cc(c1)O
M END
