Mol:FL5FACGS0005
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 |
| − | -2.9002 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9002 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9003 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9003 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1990 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1990 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4978 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4978 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4978 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4978 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1990 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1990 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7965 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7965 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0954 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0954 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0953 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0953 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7966 1.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7966 1.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7965 -0.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7965 -0.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6056 1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6056 1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3202 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3202 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0349 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0349 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0348 2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0348 2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3202 2.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3202 2.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6057 2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6057 2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6011 1.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6011 1.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6398 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6398 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9996 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9996 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0557 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0557 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9100 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9100 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3886 -1.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3886 -1.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3326 -1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3326 -1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4783 -1.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4783 -1.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4062 -0.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4062 -0.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6950 -1.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6950 -1.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6011 -2.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6011 -2.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7493 2.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7493 2.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1990 -0.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1990 -0.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3202 3.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3202 3.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3010 -2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3010 -2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3971 -3.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3971 -3.4760 0.0000 O 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 |
| − | 23 22 1 1 0 0 0 | + | 23 22 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 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 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 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 36 -0.9124 0.6045 | + | M SBV 1 36 -0.9124 0.6045 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0005 | + | ID FL5FACGS0005 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O | + | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O |
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
-2.9002 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9003 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4978 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4978 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7965 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0954 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0953 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7966 1.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7965 -0.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6056 1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3202 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0349 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0348 2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3202 2.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6057 2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6011 1.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6398 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9996 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0557 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9100 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3886 -1.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3326 -1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4783 -1.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4062 -0.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6950 -1.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6011 -2.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7493 2.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 -0.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3202 3.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3010 -2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3971 -3.4760 0.0000 O 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
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
32 33 1 0 0 0 0
23 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 CH2OH
M SBV 1 36 -0.9124 0.6045
S SKP 5
ID FL5FACGS0005
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O
M END
