Mol:FL2F1AGS0001
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 |
| − | -3.5010 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5010 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5010 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5010 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9447 -1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9447 -1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3884 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3884 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3884 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3884 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9447 0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9447 0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8321 -1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8321 -1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2758 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2758 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2758 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2758 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8321 0.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8321 0.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7197 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7197 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1527 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1527 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4143 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4143 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4143 0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4143 0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1527 1.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1527 1.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7197 0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7197 0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8321 -1.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8321 -1.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0573 0.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0573 0.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9811 1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9811 1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1029 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1029 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7963 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7963 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3860 1.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3860 1.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9792 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9792 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2859 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2859 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6962 1.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6962 1.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5334 1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5334 1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9390 1.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9390 1.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7283 1.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7283 1.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3428 1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3428 1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0573 0.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0573 0.5897 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 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 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 |
| − | 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 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 32 | + | M SBL 1 1 32 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 32 -6.2888 5.0967 | + | M SBV 1 32 -6.2888 5.0967 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1AGS0001 | + | ID FL2F1AGS0001 |
| − | KNApSAcK_ID C00008193 | + | KNApSAcK_ID C00008193 |
| − | NAME Liquiritin | + | NAME Liquiritin |
| − | CAS_RN 551-15-5 | + | CAS_RN 551-15-5 |
| − | FORMULA C21H22O9 | + | FORMULA C21H22O9 |
| − | EXACTMASS 418.126382302 | + | EXACTMASS 418.126382302 |
| − | AVERAGEMASS 418.39398 | + | AVERAGEMASS 418.39398 |
| − | SMILES c(c1C(C4)Oc(c3C(=O)4)cc(O)cc3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 | + | SMILES c(c1C(C4)Oc(c3C(=O)4)cc(O)cc3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 |
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
-3.5010 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5010 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9447 -1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3884 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3884 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9447 0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8321 -1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2758 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2758 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8321 0.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7197 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1527 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4143 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4143 0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1527 1.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7197 0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8321 -1.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0573 0.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9811 1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1029 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7963 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3860 1.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9792 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2859 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6962 1.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5334 1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9390 1.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7283 1.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3428 1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0573 0.5897 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 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
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
20 21 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 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
23 29 1 0 0 0 0
29 30 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 32
M SMT 1 CH2OH
M SBV 1 32 -6.2888 5.0967
S SKP 8
ID FL2F1AGS0001
KNApSAcK_ID C00008193
NAME Liquiritin
CAS_RN 551-15-5
FORMULA C21H22O9
EXACTMASS 418.126382302
AVERAGEMASS 418.39398
SMILES c(c1C(C4)Oc(c3C(=O)4)cc(O)cc3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1
M END
