Mol:FL63ACGS0013
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 |
| − | -1.1057 -0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1057 -0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1057 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1057 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3912 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3912 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3232 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3232 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3232 -0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3232 -0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3912 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3912 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0377 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0377 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7521 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7521 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7521 -0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7521 -0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0377 0.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0377 0.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4666 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4666 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1870 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1870 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9073 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9073 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9073 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9073 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1870 1.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1870 1.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4666 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4666 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5968 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5968 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8201 0.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8201 0.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4666 -1.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4666 -1.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3912 -2.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3912 -2.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2097 -0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2097 -0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5516 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5516 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7028 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7028 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1841 -0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1841 -0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1659 -0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1659 -0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5516 -1.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5516 -1.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7028 -1.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7028 -1.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1870 2.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1870 2.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5516 -0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5516 -0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5968 -0.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5968 -0.0413 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 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 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 -0.4054 | + | M SBV 1 33 0.0000 -0.4054 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63ACGS0013 | + | ID FL63ACGS0013 |
| − | FORMULA C20H22O10 | + | FORMULA C20H22O10 |
| − | EXACTMASS 422.121296924 | + | EXACTMASS 422.121296924 |
| − | AVERAGEMASS 422.38268000000005 | + | AVERAGEMASS 422.38268000000005 |
| − | SMILES C(O)C(C1O)(COC1Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)C(O)C2)O | + | SMILES C(O)C(C1O)(COC1Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)C(O)C2)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
-1.1057 -0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1057 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3232 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3232 -0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0377 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7521 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7521 -0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0377 0.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4666 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1870 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9073 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9073 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1870 1.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4666 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5968 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8201 0.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4666 -1.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -2.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2097 -0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5516 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7028 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1841 -0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1659 -0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5516 -1.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7028 -1.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1870 2.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5516 -0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5968 -0.0413 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
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 21 1 0 0 0 0
22 26 1 0 0 0 0
23 27 1 0 0 0 0
24 18 1 0 0 0 0
15 28 1 0 0 0 0
29 30 1 0 0 0 0
22 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 -0.4054
S SKP 5
ID FL63ACGS0013
FORMULA C20H22O10
EXACTMASS 422.121296924
AVERAGEMASS 422.38268000000005
SMILES C(O)C(C1O)(COC1Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)C(O)C2)O
M END
