Mol:FL5FADGL0034
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8168 -3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8168 -3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1964 -3.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1964 -3.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7422 -3.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7422 -3.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9085 -2.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9085 -2.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5289 -2.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5289 -2.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9831 -3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9831 -3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4542 -2.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4542 -2.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6205 -1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6205 -1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2409 -1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2409 -1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6952 -2.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6952 -2.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0294 -2.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0294 -2.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4072 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4072 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9443 -0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9443 -0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1137 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1137 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7460 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7460 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2089 -0.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2089 -0.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0395 -0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0395 -0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0788 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0788 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8106 -0.0019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.8106 -0.0019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.4229 -0.6733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.4229 -0.6733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.1684 -0.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1684 -0.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9184 -0.6733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.9184 -0.6733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.3061 -0.0019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.3061 -0.0019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.5606 -0.2149 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.5606 -0.2149 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0835 -0.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0835 -0.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8294 0.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8294 0.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9204 -0.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9204 -0.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0049 1.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0049 1.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1220 -3.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1220 -3.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1667 -4.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1667 -4.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5473 -0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5473 -0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8929 -1.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8929 -1.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1825 -2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1825 -2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8499 -2.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8499 -2.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7191 -2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7191 -2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6922 0.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6922 0.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4447 0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4447 0.9241 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 16 36 1 0 0 0 0 | + | 16 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 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 36 37 | + | M SAL 1 2 36 37 |
| − | M SBL 1 1 39 | + | M SBL 1 1 39 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 39 0.5235 2.5786 | + | M SVB 1 39 0.5235 2.5786 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FADGL0034 | + | ID FL5FADGL0034 |
| − | KNApSAcK_ID C00006005 | + | KNApSAcK_ID C00006005 |
| − | NAME Isorhamnetin 3-(6''-acetylglucoside) | + | NAME Isorhamnetin 3-(6''-acetylglucoside) |
| − | CAS_RN 64317-85-7 | + | CAS_RN 64317-85-7 |
| − | FORMULA C24H24O13 | + | FORMULA C24H24O13 |
| − | EXACTMASS 520.121690854 | + | EXACTMASS 520.121690854 |
| − | AVERAGEMASS 520.43956 | + | AVERAGEMASS 520.43956 |
| − | SMILES O[C@@H]([C@H]4COC(C)=O)C(O)C(O)[C@@H](O4)OC(C1=O)=C(c(c3)cc(OC)c(c3)O)Oc(c2)c1c(O)cc2O | + | SMILES O[C@@H]([C@H]4COC(C)=O)C(O)C(O)[C@@H](O4)OC(C1=O)=C(c(c3)cc(OC)c(c3)O)Oc(c2)c1c(O)cc2O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-1.8168 -3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1964 -3.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7422 -3.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9085 -2.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5289 -2.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9831 -3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4542 -2.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6205 -1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2409 -1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6952 -2.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0294 -2.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4072 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9443 -0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1137 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7460 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2089 -0.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0395 -0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0788 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8106 -0.0019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4229 -0.6733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1684 -0.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9184 -0.6733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3061 -0.0019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5606 -0.2149 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0835 -0.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8294 0.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9204 -0.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0049 1.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1220 -3.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1667 -4.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5473 -0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8929 -1.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1825 -2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8499 -2.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7191 -2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6922 0.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4447 0.9241 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
16 36 1 0 0 0 0
36 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 39
M SMT 1 OCH3
M SVB 1 39 0.5235 2.5786
S SKP 8
ID FL5FADGL0034
KNApSAcK_ID C00006005
NAME Isorhamnetin 3-(6''-acetylglucoside)
CAS_RN 64317-85-7
FORMULA C24H24O13
EXACTMASS 520.121690854
AVERAGEMASS 520.43956
SMILES O[C@@H]([C@H]4COC(C)=O)C(O)C(O)[C@@H](O4)OC(C1=O)=C(c(c3)cc(OC)c(c3)O)Oc(c2)c1c(O)cc2O
M END
