Mol:FL5FACGS0018
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 |
| − | -3.4511 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4511 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4511 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4511 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8948 -0.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8948 -0.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3385 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3385 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3385 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3385 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8948 0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8948 0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7822 -0.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7822 -0.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2259 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2259 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2259 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2259 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7822 0.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7822 0.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7822 -1.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7822 -1.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6698 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6698 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1028 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1028 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4642 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4642 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4642 1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4642 1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1028 1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1028 1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6698 1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6698 1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0072 0.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0072 0.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8948 -1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8948 -1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9485 1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9485 1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6698 -0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6698 -0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0864 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0864 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0801 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0801 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7793 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7793 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3578 -0.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3578 -0.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9398 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9398 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2406 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2406 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6621 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6621 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5148 0.3223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5148 0.3223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9003 0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9003 0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6747 0.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6747 0.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2927 -0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2927 -0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0072 -0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0072 -0.5846 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 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 |
| − | 24 22 1 0 0 0 0 | + | 24 22 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 35 -7.7346 4.0313 | + | M SBV 1 35 -7.7346 4.0313 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGS0018 | + | ID FL5FACGS0018 |
| − | KNApSAcK_ID C00005386 | + | KNApSAcK_ID C00005386 |
| − | NAME Quercetin 3'-glucoside;3,5,7,3',4'-Pentahydroxyflavone | + | NAME Quercetin 3'-glucoside;3,5,7,3',4'-Pentahydroxyflavone |
| − | CAS_RN 19254-30-9 | + | CAS_RN 19254-30-9 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES c(c(O)4)(cc(cc4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)OC(O1)C(O)C(O)C(O)C1CO | + | SMILES c(c(O)4)(cc(cc4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)OC(O1)C(O)C(O)C(O)C1CO |
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
-3.4511 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4511 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8948 -0.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3385 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3385 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8948 0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7822 -0.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2259 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2259 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7822 0.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7822 -1.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6698 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1028 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4642 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4642 1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1028 1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6698 1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0072 0.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8948 -1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9485 1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6698 -0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0864 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0801 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7793 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3578 -0.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9398 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2406 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6621 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5148 0.3223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9003 0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6747 0.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2927 -0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0072 -0.5846 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
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
14 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
24 22 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SBV 1 35 -7.7346 4.0313
S SKP 8
ID FL5FACGS0018
KNApSAcK_ID C00005386
NAME Quercetin 3'-glucoside;3,5,7,3',4'-Pentahydroxyflavone
CAS_RN 19254-30-9
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(c(O)4)(cc(cc4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)OC(O1)C(O)C(O)C(O)C1CO
M END
