Mol:FL7AAGGA0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
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| − | 0.2837 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2837 0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4308 1.0878 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.4308 1.0878 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0602 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0602 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7747 0.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7747 0.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4892 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4892 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4892 1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4892 1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7747 2.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7747 2.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0602 1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0602 1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1294 2.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1294 2.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1422 -0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1422 -0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1542 1.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1542 1.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8597 -1.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8597 -1.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7747 3.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7747 3.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1542 0.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1542 0.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.9057 -2.8332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.9057 -2.8332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.1235 -2.0372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.1235 -2.0372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.7166 -1.4633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.7166 -1.4633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.8913 -1.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8913 -1.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6734 -2.2594 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6734 -2.2594 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0875 -2.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0875 -2.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6863 -3.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6863 -3.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 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 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGA0017 | + | ID FL7AAGGA0017 |
| − | KNApSAcK_ID C00014799 | + | KNApSAcK_ID C00014799 |
| − | NAME Delphinidin 3-(6-O-acetylgalactoside) | + | NAME Delphinidin 3-(6-O-acetylgalactoside) |
| − | CAS_RN 197250-29-6 | + | CAS_RN 197250-29-6 |
| − | FORMULA C23H23O13 | + | FORMULA C23H23O13 |
| − | EXACTMASS 507.113865822 | + | EXACTMASS 507.113865822 |
| − | AVERAGEMASS 507.42092 | + | AVERAGEMASS 507.42092 |
| − | SMILES C(C(O1)[C@@H]([C@@H]([C@H](O)[C@@H]1Oc(c2)c(c(c4)cc(O)c(O)c(O)4)[o+1]c(c3)c(c(O)cc(O)3)2)O)O)OC(C)=O | + | SMILES C(C(O1)[C@@H]([C@@H]([C@H](O)[C@@H]1Oc(c2)c(c(c4)cc(O)c(O)c(O)4)[o+1]c(c3)c(c(O)cc(O)3)2)O)O)OC(C)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-2.5742 0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5742 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8597 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1453 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1453 0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8597 1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4308 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4308 1.0878 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0602 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7747 0.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4892 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4892 1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7747 2.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0602 1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1294 2.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1422 -0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1542 1.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8597 -1.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7747 3.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1542 0.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0804 -2.8334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9057 -2.8332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1235 -2.0372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7166 -1.4633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8913 -1.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6734 -2.2594 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0875 -2.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4571 -3.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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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
33 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
S SKP 8
ID FL7AAGGA0017
KNApSAcK_ID C00014799
NAME Delphinidin 3-(6-O-acetylgalactoside)
CAS_RN 197250-29-6
FORMULA C23H23O13
EXACTMASS 507.113865822
AVERAGEMASS 507.42092
SMILES C(C(O1)[C@@H]([C@@H]([C@H](O)[C@@H]1Oc(c2)c(c(c4)cc(O)c(O)c(O)4)[o+1]c(c3)c(c(O)cc(O)3)2)O)O)OC(C)=O
M END
