Mol:FL5FAHGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.2325 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1199 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1199 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 1.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 1.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 -0.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 2.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 -0.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 2.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 1.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 0.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -1.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4225 -2.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 -1.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4225 -0.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9936 -1.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -1.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9557 -2.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -2.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8434 -1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 2.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 2.2910 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 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 27 19 1 0 0 0 0 16 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 OCH3 M SBV 1 36 -6.0287 5.6492 S SKP 8 ID FL5FAHGS0001 KNApSAcK_ID C00005762 NAME Laricitrin 3-rhamnoside CAS_RN 71367-37-8 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES OC(C1OC(C3=O)=C(c(c4)cc(OC)c(O)c(O)4)Oc(c32)cc(cc2O)O)C(C(O)C(C)O1)O M END