Mol:FL7AAIGO0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0823 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0823 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0823 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0823 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3678 -0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3678 -0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6534 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6534 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6534 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6534 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3678 0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3678 0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0611 -0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0611 -0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0611 0.7089 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.0611 0.7089 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5521 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5521 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2666 0.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2666 0.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9811 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9811 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9811 1.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9811 1.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2666 1.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2666 1.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5521 1.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5521 1.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6212 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6212 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6623 0.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6623 0.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3678 -1.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3678 -1.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6460 0.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6460 0.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2666 2.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2666 2.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8248 2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8248 2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3631 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3631 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4258 -0.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4258 -0.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8799 -1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8799 -1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4672 -2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4672 -2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6689 -2.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6689 -2.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8754 -2.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8754 -2.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2880 -1.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2880 -1.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0864 -2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0864 -2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2434 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2434 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7232 -1.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7232 -1.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3631 -2.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3631 -2.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9159 -2.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9159 -2.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8404 -2.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8404 -2.9821 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 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 |
| − | 14 17 1 0 0 0 0 | + | 14 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 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 19 1 0 0 0 0 | + | 28 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAIGS0005 | + | ID FL7AAIGS0005 |
| − | KNApSAcK_ID C00014831 | + | KNApSAcK_ID C00014831 |
| − | NAME Malvidin 5-glucoside | + | NAME Malvidin 5-glucoside |
| − | CAS_RN 35775-62-3 | + | CAS_RN 35775-62-3 |
| − | FORMULA C23H25O12 | + | FORMULA C23H25O12 |
| − | EXACTMASS 493.134601264 | + | EXACTMASS 493.134601264 |
| − | AVERAGEMASS 493.4374 | + | AVERAGEMASS 493.4374 |
| − | SMILES c(c1)(c3OC(C(O)4)OC(CO)C(C4O)O)c(cc(c3)O)[o+1]c(c(c2)cc(c(c(OC)2)O)OC)c1O | + | SMILES c(c1)(c3OC(C(O)4)OC(CO)C(C4O)O)c(cc(c3)O)[o+1]c(c(c2)cc(c(c(OC)2)O)OC)c1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-2.0823 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0823 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3678 -0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6534 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6534 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3678 0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0611 -0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0611 0.7089 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.5521 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2666 0.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9811 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9811 1.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2666 1.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5521 1.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6212 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6623 0.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3678 -1.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6460 0.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2666 2.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8248 2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3631 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4258 -0.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8799 -1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4672 -2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6689 -2.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8754 -2.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2880 -1.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0864 -2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2434 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7232 -1.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3631 -2.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9159 -2.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8404 -2.9821 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
13 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
20 23 1 0 0 0 0
8 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 19 1 0 0 0 0
S SKP 8
ID FL7AAIGS0005
KNApSAcK_ID C00014831
NAME Malvidin 5-glucoside
CAS_RN 35775-62-3
FORMULA C23H25O12
EXACTMASS 493.134601264
AVERAGEMASS 493.4374
SMILES c(c1)(c3OC(C(O)4)OC(CO)C(C4O)O)c(cc(c3)O)[o+1]c(c(c2)cc(c(c(OC)2)O)OC)c1O
M END
