Mol:FL5FFGGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2325 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2325 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2325 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2325 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6762 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6762 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1199 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1199 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1199 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1199 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6762 1.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6762 1.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5636 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5636 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0073 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0073 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0073 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0073 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5636 1.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5636 1.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5636 -0.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5636 -0.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5488 1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5488 1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1158 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1158 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6827 1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6827 1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6827 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6827 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1158 2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1158 2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5488 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5488 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6762 -0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6762 -0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5488 -0.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5488 -0.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5505 1.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5505 1.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8434 1.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8434 1.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2496 0.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2496 0.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7943 -1.7751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.7943 -1.7751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.4225 -2.1378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.4225 -2.1378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.2232 -1.4403 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.2232 -1.4403 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.4225 -0.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4225 -0.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7943 -0.3758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.7943 -0.3758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.9936 -1.0734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.9936 -1.0734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.7640 -1.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7640 -1.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9557 -2.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9557 -2.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2710 -2.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2710 -2.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8434 -1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8434 -1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3982 1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3982 1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9617 2.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9617 2.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8566 2.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8566 2.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7848 3.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7848 3.5366 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 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 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 6 33 1 0 0 0 0 | + | 6 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 16 35 1 0 0 0 0 | + | 16 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 35 36 | + | M SAL 2 2 35 36 |
| − | M SBL 2 1 38 | + | M SBL 2 1 38 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 38 1.3992 2.7035 | + | M SVB 2 38 1.3992 2.7035 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 36 -1.3982 1.7185 | + | M SVB 1 36 -1.3982 1.7185 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFGGS0002 | + | ID FL5FFGGS0002 |
| − | KNApSAcK_ID C00005795 | + | KNApSAcK_ID C00005795 |
| − | NAME Hibiscetin 8,3'-dimethyl ether 3-rhamnoside;8-Hydroxymyricetin 8,5'-dimethyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one | + | NAME Hibiscetin 8,3'-dimethyl ether 3-rhamnoside;8-Hydroxymyricetin 8,5'-dimethyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 167499-82-3 | + | CAS_RN 167499-82-3 |
| − | FORMULA C23H24O13 | + | FORMULA C23H24O13 |
| − | EXACTMASS 508.121690854 | + | EXACTMASS 508.121690854 |
| − | AVERAGEMASS 508.42886 | + | AVERAGEMASS 508.42886 |
| − | SMILES O[C@H]([C@H]1OC(=C(c(c4)cc(OC)c(O)c(O)4)3)C(=O)c(c(O3)2)c(O)cc(c2OC)O)[C@@H]([C@H](O)C(C)O1)O | + | SMILES O[C@H]([C@H]1OC(=C(c(c4)cc(OC)c(O)c(O)4)3)C(=O)c(c(O3)2)c(O)cc(c2OC)O)[C@@H]([C@H](O)C(C)O1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-2.2325 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2325 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6762 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1199 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1199 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6762 1.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5636 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0073 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0073 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5636 1.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5636 -0.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5488 1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1158 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6827 1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6827 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1158 2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5488 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6762 -0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5488 -0.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5505 1.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8434 1.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2496 0.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7943 -1.7751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4225 -2.1378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2232 -1.4403 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.4225 -0.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7943 -0.3758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9936 -1.0734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7640 -1.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9557 -2.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2710 -2.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8434 -1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3982 1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9617 2.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8566 2.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7848 3.5366 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
3 18 1 0 0 0 0
8 19 1 0 0 0 0
20 15 1 0 0 0 0
1 21 1 0 0 0 0
14 22 1 0 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
27 19 1 0 0 0 0
6 33 1 0 0 0 0
33 34 1 0 0 0 0
16 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 35 36
M SBL 2 1 38
M SMT 2 OCH3
M SVB 2 38 1.3992 2.7035
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 -1.3982 1.7185
S SKP 8
ID FL5FFGGS0002
KNApSAcK_ID C00005795
NAME Hibiscetin 8,3'-dimethyl ether 3-rhamnoside;8-Hydroxymyricetin 8,5'-dimethyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one
CAS_RN 167499-82-3
FORMULA C23H24O13
EXACTMASS 508.121690854
AVERAGEMASS 508.42886
SMILES O[C@H]([C@H]1OC(=C(c(c4)cc(OC)c(O)c(O)4)3)C(=O)c(c(O3)2)c(O)cc(c2OC)O)[C@@H]([C@H](O)C(C)O1)O
M END
