Mol:FL7AEGGL0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5273 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5273 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5273 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5273 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8128 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8128 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0984 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0984 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0984 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0984 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8128 1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8128 1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3839 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3839 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3306 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3306 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3306 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3306 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3839 1.0573 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.3839 1.0573 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8216 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8216 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5360 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5360 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5360 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5360 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8216 2.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8216 2.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1762 2.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1762 2.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1891 -0.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1891 -0.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1073 0.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1073 0.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8128 -1.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8128 -1.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8216 3.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8216 3.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2010 0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2010 0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2150 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2150 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5622 -2.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5622 -2.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 -1.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 -1.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7868 -1.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7868 -1.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0095 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0095 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5365 -2.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5365 -2.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0375 -1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0375 -1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2704 -3.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2704 -3.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0525 -2.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0525 -2.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3189 -2.5806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3189 -2.5806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5936 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5936 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2010 -0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2010 -0.5692 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 2 34 1 0 0 0 0 | + | 2 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AEGGL0003 | + | ID FL7AEGGL0003 |
| − | KNApSAcK_ID C00014824 | + | KNApSAcK_ID C00014824 |
| − | NAME 6-Hydroxydelphinidin 3-glucoside | + | NAME 6-Hydroxydelphinidin 3-glucoside |
| − | CAS_RN 478693-91-3 | + | CAS_RN 478693-91-3 |
| − | FORMULA C21H21O13 | + | FORMULA C21H21O13 |
| − | EXACTMASS 481.09821575800004 | + | EXACTMASS 481.09821575800004 |
| − | AVERAGEMASS 481.38364 | + | AVERAGEMASS 481.38364 |
| − | SMILES C(C1Oc(c(c(c4)cc(O)c(O)c(O)4)2)cc(c(O)3)c(cc(O)c3O)[o+1]2)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c(c(c4)cc(O)c(O)c(O)4)2)cc(c(O)3)c(cc(O)c3O)[o+1]2)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.5273 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5273 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8128 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0984 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0984 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8128 1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3839 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3306 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3306 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3839 1.0573 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.1071 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8216 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5360 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5360 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8216 2.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1762 2.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1891 -0.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1073 0.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8128 -1.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8216 3.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2010 0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2150 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5622 -2.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 -1.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7868 -1.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0095 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5365 -2.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 -1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2704 -3.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0525 -2.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3189 -2.5806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5936 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2010 -0.5692 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
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
13 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 18 1 0 0 0 0
33 29 1 0 0 0 0
2 34 1 0 0 0 0
S SKP 8
ID FL7AEGGL0003
KNApSAcK_ID C00014824
NAME 6-Hydroxydelphinidin 3-glucoside
CAS_RN 478693-91-3
FORMULA C21H21O13
EXACTMASS 481.09821575800004
AVERAGEMASS 481.38364
SMILES C(C1Oc(c(c(c4)cc(O)c(O)c(O)4)2)cc(c(O)3)c(cc(O)c3O)[o+1]2)(O)C(O)C(O)C(O1)CO
M END
