Mol:FL7AACGL0023
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 |
| − | -3.0822 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0822 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0822 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0822 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5259 -0.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5259 -0.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9696 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9696 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9696 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9696 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5259 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5259 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4133 -0.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4133 -0.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8570 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8570 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8570 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8570 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4133 0.9721 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.4133 0.9721 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3009 0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3009 0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2661 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2661 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8331 0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8331 0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8331 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8331 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2661 1.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2661 1.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3009 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3009 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6383 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6383 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3999 1.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3999 1.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5259 -0.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5259 -0.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4409 -0.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4409 -0.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0620 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0620 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7938 -1.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7938 -1.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3096 -1.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3096 -1.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8285 -1.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8285 -1.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0968 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0968 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5809 -0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5809 -0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5638 -0.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5638 -0.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7226 -0.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7226 -0.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5039 -0.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5039 -0.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3781 -1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3781 -1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5763 -1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5763 -1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1513 -2.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1513 -2.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8555 -2.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8555 -2.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6383 -2.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6383 -2.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2661 2.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2661 2.6085 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 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 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 15 35 1 0 0 0 0 | + | 15 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0023 | + | ID FL7AACGL0023 |
| − | KNApSAcK_ID C00006793 | + | KNApSAcK_ID C00006793 |
| − | NAME Cyanidin 3-(6''-acetylglucoside) | + | NAME Cyanidin 3-(6''-acetylglucoside) |
| − | CAS_RN 133080-31-6 | + | CAS_RN 133080-31-6 |
| − | 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
-3.0822 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0822 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5259 -0.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9696 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9696 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5259 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4133 -0.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8570 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8570 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4133 0.9721 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.3009 0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2661 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8331 0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8331 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2661 1.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3009 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6383 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3999 1.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5259 -0.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4409 -0.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7938 -1.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3096 -1.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8285 -1.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0968 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5809 -0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5638 -0.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7226 -0.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5039 -0.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3781 -1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5763 -1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1513 -2.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8555 -2.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6383 -2.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2661 2.6085 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
15 35 1 0 0 0 0
S SKP 8
ID FL7AACGL0023
KNApSAcK_ID C00006793
NAME Cyanidin 3-(6''-acetylglucoside)
CAS_RN 133080-31-6
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
