Mol:FL7ABHGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -2.7788 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7788 -0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 -0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6662 -0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6662 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 -0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 -0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 0.3642 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.0025 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1365 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1365 1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3349 0.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 1.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -1.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3654 -1.3439 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0972 -1.8084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6130 -1.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 -1.8084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4002 -1.3439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8843 -1.4912 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0009 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7692 -1.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 0.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2666 -2.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6589 -1.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 -1.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8529 1.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2943 2.8195 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 19 8 1 0 0 0 0 20 21 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 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 13 29 1 0 0 0 0 23 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 1 0 0 0 0 32 33 1 0 0 0 0 15 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 30 31 M SBL 3 1 33 M SMT 3 CH2OH M SVB 3 33 2.538 -1.7087 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 SVB 2 37 0.8529 1.9222 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SVB 1 35 -2.6589 -1.0811 S SKP 8 ID FL7ABHGL0001 KNApSAcK_ID C00006749 NAME Europinidin 3-glucoside CAS_RN - FORMULA C23H25O12 EXACTMASS 493.134601264 AVERAGEMASS 493.4374 SMILES [C@@H](Oc(c3)c([o+1]c(c4)c(c(cc4O)OC)3)c(c2)cc(OC)c(O)c(O)2)(C(O)1)O[C@H](CO)[C@@H](C1O)O M END