Mol:FL4DACGS0006
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 |
| − | -3.4646 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4646 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7503 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7503 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0359 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0359 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0359 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0359 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7503 0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7503 0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4646 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4646 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3216 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3216 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6073 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6073 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6073 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6073 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3216 0.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3216 0.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3216 -2.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3216 -2.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1877 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1877 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9127 -0.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9127 -0.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6378 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6378 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6378 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6378 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9127 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9127 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1877 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1877 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0825 0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0825 0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0348 -1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0348 -1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3628 1.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3628 1.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7503 -2.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7503 -2.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9127 2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9127 2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1724 -1.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1724 -1.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7599 -1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7599 -1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5532 -1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5532 -1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3514 -1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3514 -1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9831 -1.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9831 -1.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9705 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9705 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5107 -1.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5107 -1.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5048 -0.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5048 -0.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9516 -0.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9516 -0.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1028 -1.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1028 -1.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0825 -2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0825 -2.3222 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 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 -0.7515 -0.0992 | + | M SBV 1 36 -0.7515 -0.0992 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0006 | + | ID FL4DACGS0006 |
| − | FORMULA C21H22O12 | + | FORMULA C21H22O12 |
| − | EXACTMASS 466.111126168 | + | EXACTMASS 466.111126168 |
| − | AVERAGEMASS 466.39218 | + | AVERAGEMASS 466.39218 |
| − | 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
-3.4646 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7503 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0359 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0359 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7503 0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4646 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3216 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3216 0.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3216 -2.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9127 -0.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6378 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6378 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9127 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0825 0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0348 -1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3628 1.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7503 -2.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9127 2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1724 -1.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7599 -1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5532 -1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3514 -1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9831 -1.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9705 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5107 -1.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5048 -0.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9516 -0.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1028 -1.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0825 -2.3222 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 19 1 0 0 0 0
32 33 1 0 0 0 0
26 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 -0.7515 -0.0992
S SKP 5
ID FL4DACGS0006
FORMULA C21H22O12
EXACTMASS 466.111126168
AVERAGEMASS 466.39218
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
