Mol:FL5FACGA0034
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.1763 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1763 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.5074 0.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5074 0.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6050 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6050 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1719 1.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1719 1.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.7389 2.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7389 2.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.6200 0.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6200 0.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5326 3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5326 3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6713 1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6713 1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6626 0.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6626 0.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.5808 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5808 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7939 -0.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7939 -0.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.2522 -1.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2522 -1.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.0593 0.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0593 0.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5709 -1.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5709 -1.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0225 -1.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0225 -1.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5808 -2.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5808 -2.4377 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 |
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| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 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 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGA0034 | + | ID FL5FACGA0034 |
| − | KNApSAcK_ID C00005953 | + | KNApSAcK_ID C00005953 |
| − | NAME Quercetin 3-(3'',6''-diacetylgalactoside) | + | NAME Quercetin 3-(3'',6''-diacetylgalactoside) |
| − | CAS_RN 146018-88-4 | + | CAS_RN 146018-88-4 |
| − | FORMULA C25H24O14 | + | FORMULA C25H24O14 |
| − | EXACTMASS 548.116605476 | + | EXACTMASS 548.116605476 |
| − | AVERAGEMASS 548.44966 | + | AVERAGEMASS 548.44966 |
| − | SMILES OC(C4OC(C)=O)C(COC(C)=O)OC(C(O)4)OC(C1=O)=C(c(c3)cc(c(c3)O)O)Oc(c2)c1c(O)cc2O | + | SMILES OC(C4OC(C)=O)C(COC(C)=O)OC(C(O)4)OC(C1=O)=C(c(c3)cc(c(c3)O)O)Oc(c2)c1c(O)cc2O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-2.1763 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1763 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0637 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0637 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 0.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6050 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1719 1.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7389 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7389 2.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1719 2.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6050 2.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 0.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6713 1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6626 0.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1719 3.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2522 -0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5808 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7939 -0.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5808 -1.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2522 -1.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0393 -1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0593 0.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5709 -1.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0225 -1.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5808 -2.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1541 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1541 -0.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6713 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
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15 16 1 0 0 0 0
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17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
24 21 1 0 0 0 0
30 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
S SKP 8
ID FL5FACGA0034
KNApSAcK_ID C00005953
NAME Quercetin 3-(3'',6''-diacetylgalactoside)
CAS_RN 146018-88-4
FORMULA C25H24O14
EXACTMASS 548.116605476
AVERAGEMASS 548.44966
SMILES OC(C4OC(C)=O)C(COC(C)=O)OC(C(O)4)OC(C1=O)=C(c(c3)cc(c(c3)O)O)Oc(c2)c1c(O)cc2O
M END
