Mol:FL4DAGGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.6372 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1163 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1163 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 -1.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0835 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0835 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1704 0.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9145 -1.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6122 1.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2129 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8688 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3733 -0.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2426 0.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7488 -0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 -0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4053 -0.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0894 -0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1163 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6122 -0.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5918 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3887 0.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 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 18 1 0 0 0 0 2 30 1 0 0 0 0 16 31 1 0 0 0 0 14 32 1 0 0 0 0 26 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 36 M SMT 1 ^CH2OH M SBV 1 36 -6.7312 3.8412 S SKP 8 ID FL4DAGGS0002 KNApSAcK_ID C00008723 NAME Ampelopsin 7-glucoside CAS_RN 87314-54-3 FORMULA C21H22O13 EXACTMASS 482.10604078999995 AVERAGEMASS 482.39158 SMILES C(O1)(Oc(c4)cc(c3c4O)OC(C(C(=O)3)O)c(c2)cc(O)c(O)c(O)2)C(O)C(O)C(O)C1CO M END