Mol:FLIA1CCS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9711 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9711 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9711 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9711 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4148 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4148 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8585 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8585 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8585 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8585 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4148 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4148 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3022 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3022 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2541 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2541 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2541 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2541 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3022 -0.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3022 -0.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3022 -2.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3022 -2.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5272 -0.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5272 -0.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0663 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0663 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6719 1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6719 1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4150 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4150 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4081 0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4081 0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9448 0.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9448 0.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2498 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2498 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2330 2.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2330 2.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7067 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7067 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0504 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0504 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7689 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7689 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3551 -2.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3551 -2.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9414 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9414 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9414 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9414 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3551 -1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3551 -1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7689 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7689 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5272 -1.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5272 -1.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5272 -2.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5272 -2.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7441 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7441 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0297 1.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0297 1.1892 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 27 8 1 0 0 0 0 | + | 27 8 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 18 30 1 0 0 0 0 | + | 18 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 -7.1126 5.9737 | + | M SBV 1 33 -7.1126 5.9737 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1CCS0001 | + | ID FLIA1CCS0001 |
| − | KNApSAcK_ID C00006360 | + | KNApSAcK_ID C00006360 |
| − | NAME Pueraria glycoside 1 | + | NAME Pueraria glycoside 1 |
| − | CAS_RN 117060-54-5 | + | CAS_RN 117060-54-5 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(c3C(C(O)4)OC(CO)C(O)C4O)(ccc(c31)C(C(c(c2)cc(c(O)c2)O)=CO1)=O)O | + | SMILES c(c3C(C(O)4)OC(CO)C(O)C4O)(ccc(c31)C(C(c(c2)cc(c(O)c2)O)=CO1)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.9711 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9711 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4148 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4148 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2541 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2541 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 -0.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 -2.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5272 -0.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0663 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6719 1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4150 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4081 0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9448 0.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2498 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2330 2.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7067 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7689 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3551 -2.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3551 -1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7689 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5272 -1.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5272 -2.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7441 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0297 1.1892 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
27 8 1 0 0 0 0
24 29 1 0 0 0 0
18 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 -7.1126 5.9737
S SKP 8
ID FLIA1CCS0001
KNApSAcK_ID C00006360
NAME Pueraria glycoside 1
CAS_RN 117060-54-5
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c3C(C(O)4)OC(CO)C(O)C4O)(ccc(c31)C(C(c(c2)cc(c(O)c2)O)=CO1)=O)O
M END
