Mol:FL3FALGS0003
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 |
| − | -3.3931 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3931 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3931 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3931 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9420 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9420 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4909 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4909 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4909 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4909 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9420 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9420 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0399 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0399 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5888 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5888 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5888 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5888 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0399 0.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0399 0.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0399 -1.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0399 -1.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1379 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1379 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6782 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6782 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2185 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2185 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2185 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2185 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6782 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6782 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1379 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1379 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9420 -1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9420 -1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2412 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2412 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2412 0.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2412 0.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8543 0.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8543 0.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5976 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5976 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5199 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5199 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1322 -0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1322 -0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8777 0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8777 0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6277 -0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6277 -0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0154 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0154 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2699 0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2699 0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7999 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7999 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5768 0.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5768 0.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5748 0.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5748 0.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1398 -0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1398 -0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8543 -0.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8543 -0.4299 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 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 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 35 -5.3063 3.2322 | + | M SBV 1 35 -5.3063 3.2322 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALGS0003 | + | ID FL3FALGS0003 |
| − | KNApSAcK_ID C00004473 | + | KNApSAcK_ID C00004473 |
| − | NAME Isoetin 5'-glucoside | + | NAME Isoetin 5'-glucoside |
| − | CAS_RN 118169-24-7 | + | CAS_RN 118169-24-7 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES c(c1O)(OC(O4)C(O)C(O)C(O)C4CO)cc(C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)c(c1)O | + | SMILES c(c1O)(OC(O4)C(O)C(O)C(O)C4CO)cc(C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)c(c1)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
-3.3931 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3931 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9420 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4909 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4909 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9420 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0399 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5888 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5888 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0399 0.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0399 -1.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1379 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6782 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2185 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2185 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6782 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1379 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9420 -1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2412 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2412 0.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8543 0.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5976 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5199 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1322 -0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8777 0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6277 -0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0154 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2699 0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7999 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5768 0.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5748 0.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1398 -0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8543 -0.4299 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
21 1 1 0 0 0 0
17 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 20 1 0 0 0 0
26 32 1 0 0 0 0
32 33 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 35
M SMT 1 CH2OH
M SBV 1 35 -5.3063 3.2322
S SKP 8
ID FL3FALGS0003
KNApSAcK_ID C00004473
NAME Isoetin 5'-glucoside
CAS_RN 118169-24-7
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(c1O)(OC(O4)C(O)C(O)C(O)C4CO)cc(C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)c(c1)O
M END
