Mol:FL4DACGS0021
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 |
| − | -4.1907 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1907 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4764 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4764 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7622 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7622 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7622 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7622 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4764 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4764 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1907 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1907 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0478 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0478 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3335 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3335 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3335 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3335 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0478 0.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0478 0.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0478 -2.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0478 -2.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5385 0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5385 0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1865 -0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1865 -0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9117 0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9117 0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9117 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9117 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1865 1.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1865 1.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5385 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5385 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8088 0.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8088 0.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6914 -1.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6914 -1.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6367 1.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6367 1.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4764 -2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4764 -2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6654 2.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6654 2.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2529 1.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2529 1.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0461 1.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0461 1.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8442 1.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8442 1.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2568 2.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2568 2.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4635 1.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4635 1.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0450 2.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0450 2.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8327 2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8327 2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8088 2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8088 2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1865 2.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1865 2.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5852 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5852 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5559 0.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5559 0.0747 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 20 1 0 0 0 0 | + | 23 20 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 |
| − | 25 32 1 0 0 0 0 | + | 25 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 -0.7410 -0.0508 | + | M SBV 1 36 -0.7410 -0.0508 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0021 | + | ID FL4DACGS0021 |
| − | FORMULA C21H22O12 | + | FORMULA C21H22O12 |
| − | EXACTMASS 466.111126168 | + | EXACTMASS 466.111126168 |
| − | AVERAGEMASS 466.39218 | + | AVERAGEMASS 466.39218 |
| − | SMILES c(c1)c(OC(O4)C(O)C(O)C(O)C4CO)c(O)cc1C(C3O)Oc(c2)c(C3=O)c(cc(O)2)O | + | SMILES c(c1)c(OC(O4)C(O)C(O)C(O)C4CO)c(O)cc1C(C3O)Oc(c2)c(C3=O)c(cc(O)2)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
-4.1907 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4764 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7622 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7622 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4764 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1907 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0478 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3335 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3335 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0478 0.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0478 -2.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5385 0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1865 -0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9117 0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9117 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1865 1.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5385 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8088 0.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6914 -1.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6367 1.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4764 -2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6654 2.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2529 1.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0461 1.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8442 1.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2568 2.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4635 1.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0450 2.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8327 2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8088 2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1865 2.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5852 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5559 0.0747 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
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 20 1 0 0 0 0
16 31 1 0 0 0 0
32 33 1 0 0 0 0
25 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 -0.7410 -0.0508
S SKP 5
ID FL4DACGS0021
FORMULA C21H22O12
EXACTMASS 466.111126168
AVERAGEMASS 466.39218
SMILES c(c1)c(OC(O4)C(O)C(O)C(O)C4CO)c(O)cc1C(C3O)Oc(c2)c(C3=O)c(cc(O)2)O
M END
