Mol:FL5FAAGS0018
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9921 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9921 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9921 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9921 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4358 -0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4358 -0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8795 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8795 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8795 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8795 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4358 0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4358 0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3232 -0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3232 -0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7669 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7669 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7669 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7669 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3232 0.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3232 0.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3232 -1.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3232 -1.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2108 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2108 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3562 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3562 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9231 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9231 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9231 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9231 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3562 1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3562 1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2108 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2108 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4358 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4358 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5482 0.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5482 0.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4900 1.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4900 1.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3265 -1.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3265 -1.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4991 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4991 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1273 -0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1273 -0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9280 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9280 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1273 1.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1273 1.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4991 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4991 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6984 0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6984 0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4687 0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4687 0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6605 -0.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6605 -0.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9757 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9757 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5482 0.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5482 0.0899 0.0000 C 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 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 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0018 | + | ID FL5FAAGS0018 |
| − | KNApSAcK_ID C00005153 | + | KNApSAcK_ID C00005153 |
| − | NAME Kaempferol 4'-rhamnoside | + | NAME Kaempferol 4'-rhamnoside |
| − | CAS_RN 65063-32-3 | + | CAS_RN 65063-32-3 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(c3)(ccc(OC(O4)C(O)C(O)C(O)C(C)4)c3)C(=C2O)Oc(c1)c(C2=O)c(cc(O)1)O | + | SMILES c(c3)(ccc(OC(O4)C(O)C(O)C(O)C(C)4)c3)C(=C2O)Oc(c1)c(C2=O)c(cc(O)1)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.9921 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9921 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4358 -0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8795 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8795 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4358 0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3232 -0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7669 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7669 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3232 0.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3232 -1.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2108 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3562 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9231 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9231 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3562 1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2108 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4358 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5482 0.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4900 1.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3265 -1.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4991 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1273 -0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9280 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1273 1.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4991 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6984 0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4687 0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6605 -0.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9757 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5482 0.0899 0.0000 C 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
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
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
20 26 1 0 0 0 0
S SKP 8
ID FL5FAAGS0018
KNApSAcK_ID C00005153
NAME Kaempferol 4'-rhamnoside
CAS_RN 65063-32-3
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c3)(ccc(OC(O4)C(O)C(O)C(O)C(C)4)c3)C(=C2O)Oc(c1)c(C2=O)c(cc(O)1)O
M END
