Mol:FL5FECGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6564 -0.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6564 -0.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 1.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 1.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4657 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4657 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0940 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0940 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8946 -1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8946 -1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0940 -0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0940 -0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4657 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4657 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6650 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6650 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4354 -0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4354 -0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6271 -2.1381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6271 -2.1381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9424 -2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9424 -2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5148 -1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5148 -1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.0990 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 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 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 32 1 0 0 0 0 |
| − | 3 33 1 0 0 0 0 | + | 3 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGS0001 | + | ID FL5FECGS0001 |
| − | KNApSAcK_ID C00005632 | + | KNApSAcK_ID C00005632 |
| − | NAME Quercetagetin 3-rhamnoside | + | NAME Quercetagetin 3-rhamnoside |
| − | CAS_RN 64543-29-9 | + | CAS_RN 64543-29-9 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES O(C(C4=O)=C(Oc(c34)cc(O)c(c3O)O)c(c2)cc(c(O)c2)O)C(O1)C(O)C(O)C(O)C(C)1 | + | SMILES O(C(C4=O)=C(Oc(c34)cc(O)c(c3O)O)c(c2)cc(c(O)c2)O)C(O1)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.9630 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6564 -0.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4657 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0940 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8946 -1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0940 -0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4657 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6650 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4354 -0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6271 -2.1381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9424 -2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5148 -1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.0990 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 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 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
26 19 1 0 0 0 0
2 32 1 0 0 0 0
3 33 1 0 0 0 0
S SKP 8
ID FL5FECGS0001
KNApSAcK_ID C00005632
NAME Quercetagetin 3-rhamnoside
CAS_RN 64543-29-9
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES O(C(C4=O)=C(Oc(c34)cc(O)c(c3O)O)c(c2)cc(c(O)c2)O)C(O1)C(O)C(O)C(O)C(C)1
M END
