Mol:FL3FAAGS0014
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 |
| − | -3.8282 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8282 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8282 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8282 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2719 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2719 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7156 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7156 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7156 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7156 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2719 0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2719 0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1593 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1593 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6030 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6030 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6030 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6030 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1593 0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1593 0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1593 -1.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1593 -1.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0469 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0469 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4800 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4800 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0870 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0870 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0870 0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0870 0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4800 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4800 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0469 0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0469 0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3843 0.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3843 0.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2719 -1.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2719 -1.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6538 1.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6538 1.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0499 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0499 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6622 0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6622 0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4077 1.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4077 1.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1577 0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1577 0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5454 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5454 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7999 1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7999 1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3299 1.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3299 1.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1068 1.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1068 1.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1048 1.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1048 1.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6699 0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6699 0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3843 0.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3843 0.4319 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 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 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 -6.2200 3.6608 | + | M SBV 1 33 -6.2200 3.6608 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0014 | + | ID FL3FAAGS0014 |
| − | KNApSAcK_ID C00004149 | + | KNApSAcK_ID C00004149 |
| − | NAME Apigenin 4'-glucoside | + | NAME Apigenin 4'-glucoside |
| − | CAS_RN 20486-34-4 | + | CAS_RN 20486-34-4 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(c1C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 | + | SMILES c(c1C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 |
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
-3.8282 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8282 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2719 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7156 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7156 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2719 0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1593 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6030 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6030 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1593 0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1593 -1.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0469 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4800 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0870 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0870 0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4800 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0469 0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3843 0.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2719 -1.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6538 1.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0499 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6622 0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4077 1.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1577 0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5454 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7999 1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3299 1.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1068 1.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1048 1.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6699 0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3843 0.4319 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
15 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
20 22 1 0 0 0 0
24 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 -6.2200 3.6608
S SKP 8
ID FL3FAAGS0014
KNApSAcK_ID C00004149
NAME Apigenin 4'-glucoside
CAS_RN 20486-34-4
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c1C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1
M END
