Mol:FL5FEGGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7737 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7737 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7737 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7737 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2174 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2174 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3389 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3389 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3389 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3389 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2174 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2174 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8952 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8952 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4515 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4515 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4515 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4515 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8952 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8952 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8952 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8952 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0076 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0076 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5746 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5746 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1416 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1416 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1416 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1416 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5746 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5746 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0076 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0076 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2174 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2174 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0093 0.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0093 0.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3846 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3846 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4901 -0.0278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.4901 -0.0278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0744 -0.5766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0744 -0.5766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4758 -0.3438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.4758 -0.3438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8981 -0.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8981 -0.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3179 0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3179 0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8416 -0.1941 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.8416 -0.1941 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.1520 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1520 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4669 -1.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4669 -1.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5941 -0.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5941 -0.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0076 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0076 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8737 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8737 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5204 -1.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5204 -1.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3001 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3001 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3154 1.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3154 1.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2435 2.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2435 2.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3175 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3175 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1836 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1836 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0401 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0401 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9956 0.9717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9956 0.9717 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 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 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 16 34 1 0 0 0 0 | + | 16 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 8 36 1 0 0 0 0 | + | 8 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 26 38 1 0 0 0 0 | + | 26 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 38 39 | + | M SAL 5 2 38 39 |
| − | M SBL 5 1 41 | + | M SBL 5 1 41 |
| − | M SMT 5 CH2OH | + | M SMT 5 CH2OH |
| − | M SVB 5 41 -3.0401 0.6767 | + | M SVB 5 41 -3.0401 0.6767 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 36 37 | + | M SAL 4 2 36 37 |
| − | M SBL 4 1 39 | + | M SBL 4 1 39 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 39 1.6504 -0.9854 | + | M SVB 4 39 1.6504 -0.9854 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 34 35 | + | M SAL 3 2 34 35 |
| − | M SBL 3 1 37 | + | M SBL 3 1 37 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 37 2.858 1.7424 | + | M SVB 3 37 2.858 1.7424 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 35 -1.5204 -1.3787 | + | M SVB 2 35 -1.5204 -1.3787 |
| − | 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 3.3511 -0.022 | + | M SVB 1 33 3.3511 -0.022 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEGGS0001 | + | ID FL5FEGGS0001 |
| − | KNApSAcK_ID C00005792 | + | KNApSAcK_ID C00005792 |
| − | NAME 6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside | + | NAME 6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside |
| − | CAS_RN 67963-63-7 | + | CAS_RN 67963-63-7 |
| − | FORMULA C25H28O14 | + | FORMULA C25H28O14 |
| − | EXACTMASS 552.147905604 | + | EXACTMASS 552.147905604 |
| − | AVERAGEMASS 552.4814200000001 | + | AVERAGEMASS 552.4814200000001 |
| − | SMILES c(c1)(c(c(cc1C(=C(OC)4)Oc(c3C4=O)cc(c(c3O)OC)O[C@@H]([C@H]2O)OC(CO)[C@H](O)[C@@H]2O)OC)O)OC | + | SMILES c(c1)(c(c(cc1C(=C(OC)4)Oc(c3C4=O)cc(c(c3O)OC)O[C@@H]([C@H]2O)OC(CO)[C@H](O)[C@@H]2O)OC)O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-0.7737 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7737 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2174 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3389 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3389 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2174 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8952 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4515 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4515 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8952 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8952 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0076 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5746 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1416 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1416 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5746 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0076 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2174 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0093 0.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3846 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4901 -0.0278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0744 -0.5766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4758 -0.3438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8981 -0.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3179 0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8416 -0.1941 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.1520 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4669 -1.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5941 -0.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0076 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8737 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5204 -1.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3001 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3154 1.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2435 2.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1836 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0401 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9956 0.9717 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
1 20 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 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
14 30 1 0 0 0 0
30 31 1 0 0 0 0
2 32 1 0 0 0 0
32 33 1 0 0 0 0
16 34 1 0 0 0 0
34 35 1 0 0 0 0
8 36 1 0 0 0 0
36 37 1 0 0 0 0
26 38 1 0 0 0 0
38 39 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 38 39
M SBL 5 1 41
M SMT 5 CH2OH
M SVB 5 41 -3.0401 0.6767
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 36 37
M SBL 4 1 39
M SMT 4 OCH3
M SVB 4 39 1.6504 -0.9854
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 37
M SMT 3 OCH3
M SVB 3 37 2.858 1.7424
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 -1.5204 -1.3787
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 3.3511 -0.022
S SKP 8
ID FL5FEGGS0001
KNApSAcK_ID C00005792
NAME 6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside
CAS_RN 67963-63-7
FORMULA C25H28O14
EXACTMASS 552.147905604
AVERAGEMASS 552.4814200000001
SMILES c(c1)(c(c(cc1C(=C(OC)4)Oc(c3C4=O)cc(c(c3O)OC)O[C@@H]([C@H]2O)OC(CO)[C@H](O)[C@@H]2O)OC)O)OC
M END
