Mol:FL7AACGL0026
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
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| − | -3.5915 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5915 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0352 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0352 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.9226 1.0475 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.9226 1.0475 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8102 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8102 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2432 0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2432 0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3238 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3238 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3238 1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3238 1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2432 2.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2432 2.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8102 1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8102 1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1476 1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1476 1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.0352 -0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0352 -0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9502 -0.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9502 -0.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5527 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5527 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2845 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2845 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8003 -0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8003 -0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3192 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3192 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5875 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5875 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0716 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0716 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.9946 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9946 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8688 -0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8688 -0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2432 2.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2432 2.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4731 -1.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4731 -1.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4731 -2.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4731 -2.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.1476 -2.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1476 -2.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5611 -1.6854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5611 -1.6854 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 |
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| − | 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 |
| − | 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 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 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 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 36 38 2 0 0 0 0 | + | 36 38 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0026 | + | ID FL7AACGL0026 |
| − | KNApSAcK_ID C00006796 | + | KNApSAcK_ID C00006796 |
| − | NAME Cyanidin 3-(6''-malonylglucoside);Cyanidin-3-O-(6-O-malonyl-beta-D-glucopyranoside) | + | NAME Cyanidin 3-(6''-malonylglucoside);Cyanidin-3-O-(6-O-malonyl-beta-D-glucopyranoside) |
| − | CAS_RN 94977-38-5 | + | CAS_RN 94977-38-5 |
| − | FORMULA C24H23O14 | + | FORMULA C24H23O14 |
| − | EXACTMASS 535.108780444 | + | EXACTMASS 535.108780444 |
| − | AVERAGEMASS 535.43102 | + | AVERAGEMASS 535.43102 |
| − | SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c3)c([o+1]c(c32)cc(cc2O)O)c(c1)cc(c(c1)O)O | + | SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c3)c([o+1]c(c32)cc(cc2O)O)c(c1)cc(c(c1)O)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/
38 41 0 0 0 0 0 0 0 0999 V2000
-3.5915 0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5915 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0352 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4789 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4789 0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0352 1.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9226 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3663 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3663 0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9226 1.0475 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.8102 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2432 0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3238 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3238 1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2432 2.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8102 1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1476 1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8906 2.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0352 -0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9502 -0.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5527 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2845 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8003 -0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3192 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5875 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0545 -0.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2133 -0.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9946 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8688 -0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2432 2.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4731 -1.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4731 -2.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9741 -2.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0686 -2.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5611 -2.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1476 -2.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5611 -1.6854 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
15 31 1 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 2 0 0 0 0
S SKP 8
ID FL7AACGL0026
KNApSAcK_ID C00006796
NAME Cyanidin 3-(6''-malonylglucoside);Cyanidin-3-O-(6-O-malonyl-beta-D-glucopyranoside)
CAS_RN 94977-38-5
FORMULA C24H23O14
EXACTMASS 535.108780444
AVERAGEMASS 535.43102
SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c3)c([o+1]c(c32)cc(cc2O)O)c(c1)cc(c(c1)O)O
M END
