Mol:FL2FFAGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4414 -0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4414 -0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7288 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7288 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4382 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4382 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7215 -2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7215 -2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0088 -1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0088 -1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0125 -0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0125 -0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2925 -2.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2925 -2.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4201 -1.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4201 -1.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4164 -0.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4164 -0.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2998 -0.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2998 -0.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0702 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0702 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7863 -1.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7863 -1.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4991 -0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4991 -0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4960 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4960 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7799 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7799 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0670 0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0670 0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2915 -2.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2915 -2.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0669 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0669 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7215 -2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7215 -2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1785 0.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1785 0.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7288 0.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7288 0.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4207 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4207 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9681 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9681 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5171 1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5171 1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4813 0.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4813 0.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9338 1.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9338 1.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3847 1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3847 1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8787 2.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8787 2.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7677 2.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7677 2.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0320 2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0320 2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9681 2.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9681 2.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1785 1.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1785 1.3015 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FFAGS0002 | + | ID FL2FFAGS0002 |
| − | KNApSAcK_ID C00014330 | + | KNApSAcK_ID C00014330 |
| − | NAME Isocarthamidin 8-glucoside;5,7,8,4'-Tetrahydroxyflavanone 8-glucoside | + | NAME Isocarthamidin 8-glucoside;5,7,8,4'-Tetrahydroxyflavanone 8-glucoside |
| − | CAS_RN 164920-57-4 | + | CAS_RN 164920-57-4 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES c(c3)(O)c(C(=O)2)c(c(OC(C(O)4)OC(CO)C(O)C4O)c3O)OC(C2)c(c1)ccc(O)c1 | + | SMILES c(c3)(O)c(C(=O)2)c(c(OC(C(O)4)OC(CO)C(O)C4O)c3O)OC(C2)c(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.4414 -0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7288 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4382 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7215 -2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0088 -1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0125 -0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2925 -2.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4201 -1.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4164 -0.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2998 -0.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0702 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7863 -1.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4991 -0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4960 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7799 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2915 -2.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0669 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7215 -2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1785 0.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7288 0.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4207 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9681 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5171 1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4813 0.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9338 1.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3847 1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8787 2.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7677 2.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0320 2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9681 2.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1785 1.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
1 18 1 0 0 0 0
4 19 1 0 0 0 0
14 20 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
21 25 1 0 0 0 0
S SKP 8
ID FL2FFAGS0002
KNApSAcK_ID C00014330
NAME Isocarthamidin 8-glucoside;5,7,8,4'-Tetrahydroxyflavanone 8-glucoside
CAS_RN 164920-57-4
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c3)(O)c(C(=O)2)c(c(OC(C(O)4)OC(CO)C(O)C4O)c3O)OC(C2)c(c1)ccc(O)c1
M END
