Mol:FL63ACGS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7407 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7407 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7407 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7407 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0263 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0263 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3118 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3118 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3118 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3118 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0263 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0263 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4026 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4026 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1171 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1171 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1171 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1171 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4026 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4026 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8315 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8315 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5519 0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5519 0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2723 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2723 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2723 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2723 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5519 2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5519 2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8315 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8315 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9618 2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9618 2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4552 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4552 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8315 -0.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8315 -0.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0263 -1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0263 -1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5519 3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5519 3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5746 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5746 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9165 -2.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9165 -2.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0678 -2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0678 -2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5491 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5491 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5309 -1.6763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5309 -1.6763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9165 -3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9165 -3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0678 -3.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0678 -3.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9165 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9165 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9618 -1.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9618 -1.7331 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 |
| − | 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 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 0.0000 -0.3896 | + | M SBV 1 33 0.0000 -0.3896 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63ACGS0009 | + | ID FL63ACGS0009 |
| − | FORMULA C20H22O10 | + | FORMULA C20H22O10 |
| − | EXACTMASS 422.121296924 | + | EXACTMASS 422.121296924 |
| − | AVERAGEMASS 422.38268000000005 | + | AVERAGEMASS 422.38268000000005 |
| − | SMILES C(O)C(C1O)(COC1Oc(c4)c(c(cc(O)4)2)CC(C(c(c3)cc(c(O)c3)O)O2)O)O | + | SMILES C(O)C(C1O)(COC1Oc(c4)c(c(cc(O)4)2)CC(C(c(c3)cc(c(O)c3)O)O2)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.7407 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7407 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0263 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3118 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3118 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0263 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4026 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1171 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1171 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4026 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5519 0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2723 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2723 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5519 2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9618 2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4552 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 -0.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0263 -1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5519 3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5746 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9165 -2.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0678 -2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5491 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5309 -1.6763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9165 -3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0678 -3.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9165 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9618 -1.7331 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
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
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 1 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 22 1 0 0 0 0
23 27 1 0 0 0 0
24 28 1 0 0 0 0
25 20 1 0 0 0 0
29 30 1 0 0 0 0
23 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 0.0000 -0.3896
S SKP 5
ID FL63ACGS0009
FORMULA C20H22O10
EXACTMASS 422.121296924
AVERAGEMASS 422.38268000000005
SMILES C(O)C(C1O)(COC1Oc(c4)c(c(cc(O)4)2)CC(C(c(c3)cc(c(O)c3)O)O2)O)O
M END
