Mol:FL5F1AGL0001
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 |
| − | -2.8485 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8485 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8485 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8485 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2922 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2922 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7359 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7359 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7359 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7359 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2922 0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2922 0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1796 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1796 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6233 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6233 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6233 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6233 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1796 0.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1796 0.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1796 -1.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1796 -1.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0672 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0672 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4997 0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4997 0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0667 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0667 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0667 1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0667 1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4997 1.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4997 1.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0672 1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0672 1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4046 0.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4046 0.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0248 -0.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0248 -0.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0702 -0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0702 -0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6826 -1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6826 -1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4280 -0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4280 -0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1780 -1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1780 -1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5657 -0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5657 -0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8202 -0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8202 -0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3431 -0.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3431 -0.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1272 -0.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1272 -0.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1251 -0.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1251 -0.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6335 1.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6335 1.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6902 -1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6902 -1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4046 -1.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4046 -1.5308 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 -4.7454 5.7200 | + | M SBV 1 33 -4.7454 5.7200 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1AGL0001 | + | ID FL5F1AGL0001 |
| − | KNApSAcK_ID C00005127 | + | KNApSAcK_ID C00005127 |
| − | NAME Resokaempferol 3-glucoside | + | NAME Resokaempferol 3-glucoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES C(C1OC(C2=O)=C(c(c4)ccc(O)c4)Oc(c3)c(ccc(O)3)2)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1OC(C2=O)=C(c(c4)ccc(O)c4)Oc(c3)c(ccc(O)3)2)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
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
-2.8485 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8485 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2922 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7359 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7359 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2922 0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1796 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6233 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6233 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1796 0.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1796 -1.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0672 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4997 0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0667 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0667 1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4997 1.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0672 1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4046 0.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0248 -0.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0702 -0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6826 -1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4280 -0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1780 -1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5657 -0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8202 -0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3431 -0.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1272 -0.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1251 -0.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6335 1.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6902 -1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4046 -1.5308 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
15 29 1 0 0 0 0
23 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 -4.7454 5.7200
S SKP 8
ID FL5F1AGL0001
KNApSAcK_ID C00005127
NAME Resokaempferol 3-glucoside
CAS_RN -
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES C(C1OC(C2=O)=C(c(c4)ccc(O)c4)Oc(c3)c(ccc(O)3)2)(O)C(O)C(O)C(O1)CO
M END
