Mol:FL1DABGS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7954 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7954 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7954 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7954 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0810 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0810 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3665 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3665 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3665 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3665 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0810 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0810 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6520 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6520 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0625 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0625 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0625 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0625 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4914 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4914 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2059 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2059 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2059 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2059 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4914 0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4914 0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6520 -2.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6520 -2.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7760 -0.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7760 -0.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4538 -0.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4538 -0.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0810 -2.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0810 -2.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4221 2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4221 2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9539 1.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9539 1.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4858 1.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4858 1.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4294 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4294 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8975 0.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8975 0.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3655 1.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3655 1.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8680 1.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8680 1.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7706 2.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7706 2.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0408 2.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0408 2.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9041 2.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9041 2.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1459 1.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1459 1.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7989 0.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7989 0.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4538 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4538 0.5222 0.0000 C 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 |
| − | 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 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DABGS0001 | + | ID FL1DABGS0001 |
| − | KNApSAcK_ID C00014631 | + | KNApSAcK_ID C00014631 |
| − | NAME 4-Methoxyphlorizin;2',4',6'-Trihydroxy-4-methoxydihydrochalcone 2'-O-glucoside | + | NAME 4-Methoxyphlorizin;2',4',6'-Trihydroxy-4-methoxydihydrochalcone 2'-O-glucoside |
| − | CAS_RN 4369-35-1 | + | CAS_RN 4369-35-1 |
| − | FORMULA C22H26O10 | + | FORMULA C22H26O10 |
| − | EXACTMASS 450.152597052 | + | EXACTMASS 450.152597052 |
| − | AVERAGEMASS 450.43584 | + | AVERAGEMASS 450.43584 |
| − | SMILES OC(C1O)C(Oc(c(C(=O)CCc(c3)ccc(c3)OC)2)cc(O)cc(O)2)OC(CO)C1O | + | SMILES OC(C1O)C(Oc(c(C(=O)CCc(c3)ccc(c3)OC)2)cc(O)cc(O)2)OC(CO)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.7954 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7954 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0810 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3665 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3665 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0810 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6520 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0625 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0625 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4914 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2059 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2059 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4914 0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6520 -2.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7760 -0.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4538 -0.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0810 -2.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4221 2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9539 1.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4858 1.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4294 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8975 0.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3655 1.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8680 1.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7706 2.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0408 2.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9041 2.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1459 1.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7989 0.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4538 0.5222 0.0000 C 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
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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
5 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
13 31 1 0 0 0 0
31 32 1 0 0 0 0
17 23 1 0 0 0 0
S SKP 8
ID FL1DABGS0001
KNApSAcK_ID C00014631
NAME 4-Methoxyphlorizin;2',4',6'-Trihydroxy-4-methoxydihydrochalcone 2'-O-glucoside
CAS_RN 4369-35-1
FORMULA C22H26O10
EXACTMASS 450.152597052
AVERAGEMASS 450.43584
SMILES OC(C1O)C(Oc(c(C(=O)CCc(c3)ccc(c3)OC)2)cc(O)cc(O)2)OC(CO)C1O
M END
