Mol:FL5FAHGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -3.6663 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6663 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5536 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5536 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9973 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9973 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9973 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2772 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8158 -0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 0.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6482 -0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2197 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5151 0.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9471 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 -0.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 0.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9414 -0.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2772 -0.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0346 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6799 1.3299 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 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 22 24 1 0 0 0 0 26 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 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 CH2OH M SBV 1 35 -7.4029 4.1387 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 34 35 M SBL 2 1 37 M SMT 2 OCH3 M SBV 2 37 -7.4625 4.6881 S SKP 8 ID FL5FAHGS0003 KNApSAcK_ID C00005764 NAME Laricitrin 5'-glucoside CAS_RN 123442-26-2 FORMULA C22H22O13 EXACTMASS 494.10604078999995 AVERAGEMASS 494.40228 SMILES OC(C1O)C(Oc(c4O)cc(cc4OC)C(=C2O)Oc(c3)c(c(O)cc3O)C2=O)OC(CO)C1O M END