Mol:FL5FAIGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 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 2.5302 2.0358 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 1.7943 -1.7751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4225 -2.1378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2232 -1.4403 0.0000 C 0 0 3 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 1 0 0 0 0 0 0 0 0 0 1.9936 -1.0734 0.0000 C 0 0 1 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 0.8566 2.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7848 3.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6827 1.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 1.1454 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 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 19 1 0 0 0 0 16 32 1 0 0 0 0 32 33 1 0 0 0 0 14 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 34 35 M SBL 2 1 37 M SMT 2 OCH3 M SVB 2 37 1.8923 0.9391 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 1.3992 2.7035 S SKP 8 ID FL5FAIGS0002 KNApSAcK_ID C00005778 NAME Syringetin 3-rhamnoside CAS_RN 93126-00-2 FORMULA C23H24O12 EXACTMASS 492.126776232 AVERAGEMASS 492.42946 SMILES O[C@H]([C@H]1OC(C4=O)=C(Oc(c43)cc(cc3O)O)c(c2)cc(c(c2OC)O)OC)[C@@H]([C@H](O)C(C)O1)O M END