Mol:FL5FADGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.4816 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0747 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0747 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1873 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7436 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7436 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1873 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1873 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4336 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4336 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0747 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4336 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3055 -0.0143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8631 -0.5982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2260 -0.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6113 -0.3439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0580 0.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6153 -0.1912 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9179 -0.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5528 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -0.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5916 2.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6441 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3918 0.5672 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 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 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 18 1 0 0 0 0 16 31 1 0 0 0 0 31 32 1 0 0 0 0 27 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 36 M SMT 2 CH2OH M SVB 2 36 -2.7148 0.2072 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 3.1501 1.7424 S SKP 8 ID FL5FADGS0008 KNApSAcK_ID C00005530 NAME Isorhamnetin 7-glucoside CAS_RN 6743-96-0 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)ccc(c(OC)2)O)CO)O)O M END