Mol:FL7AACGA0015
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 |
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| − | -3.1517 1.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1517 1.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8572 -0.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8572 -0.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1517 1.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1517 1.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.6981 -2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6981 -2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.1518 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1518 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 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 |
| − | 13 21 1 0 0 0 0 | + | 13 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 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGA0015 | + | ID FL7AACGA0015 |
| − | KNApSAcK_ID C00014759 | + | KNApSAcK_ID C00014759 |
| − | NAME Cyanidin 3-(6-acetylgalactoside) | + | NAME Cyanidin 3-(6-acetylgalactoside) |
| − | CAS_RN 481655-63-4 | + | CAS_RN 481655-63-4 |
| − | FORMULA C23H23O12 | + | FORMULA C23H23O12 |
| − | EXACTMASS 491.1189512 | + | EXACTMASS 491.1189512 |
| − | AVERAGEMASS 491.42152 | + | AVERAGEMASS 491.42152 |
| − | SMILES C(C(O1)C(C(C(O)C1Oc(c3c(c4)ccc(c4O)O)cc(c(O)2)c([o+1]3)cc(O)c2)O)O)OC(C)=O | + | SMILES C(C(O1)C(C(C(O)C1Oc(c3c(c4)ccc(c4O)O)cc(c(O)2)c([o+1]3)cc(O)c2)O)O)OC(C)=O |
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
-2.5717 1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5717 0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8572 -0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1428 0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1428 1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8572 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4283 -0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2862 0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2862 1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4283 1.5848 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0627 1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7772 1.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4916 1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4916 2.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7772 2.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0627 2.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1318 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9303 -0.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1517 1.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8572 -0.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1517 1.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1270 -2.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6981 -2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9272 -1.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5284 -0.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7032 -0.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4740 -1.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1518 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6357 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6037 -2.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0559 -2.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5582 -1.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3646 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6673 -1.2257 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
13 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
25 18 1 0 0 0 0
29 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FL7AACGA0015
KNApSAcK_ID C00014759
NAME Cyanidin 3-(6-acetylgalactoside)
CAS_RN 481655-63-4
FORMULA C23H23O12
EXACTMASS 491.1189512
AVERAGEMASS 491.42152
SMILES C(C(O1)C(C(C(O)C1Oc(c3c(c4)ccc(c4O)O)cc(c(O)2)c([o+1]3)cc(O)c2)O)O)OC(C)=O
M END
