Mol:FL5FAHGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -0.5618 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5618 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5508 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5508 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2194 1.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9202 -0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 0.0366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0333 -0.5270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4185 -0.2879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8253 -0.2815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2564 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8844 -0.0758 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9374 0.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6988 -0.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0662 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4499 1.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0699 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5113 2.6397 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 18 1 0 0 0 0 28 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 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 CH2OH M SVB 2 35 -3.1196 0.65 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 34 35 M SBL 1 1 37 M SMT 1 OCH3 M SVB 1 37 3.0699 1.7424 S SKP 8 ID FL5FAHGS0002 KNApSAcK_ID C00005763 NAME Laricitrin 7-glucoside CAS_RN 89345-45-9 FORMULA C22H22O13 EXACTMASS 494.10604078999995 AVERAGEMASS 494.40228 SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(OC)c(O)c(O)2)CO)O)O M END