Mol:FL5FCAGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.1133 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1119 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1119 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 1.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -0.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8019 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8019 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5453 -0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8163 -1.1024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3687 -1.6931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7242 -1.4425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1023 -1.4358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5542 -0.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1181 -1.2814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4359 -1.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0664 -1.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 1.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 2.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2698 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2146 -0.1643 0.0000 O 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 20 15 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 19 1 0 0 0 0 1 30 1 0 0 0 0 30 31 1 0 0 0 0 26 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 CH2OH M SVB 2 35 -2.2698 -0.4919 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 -1.4705 1.3394 S SKP 8 ID FL5FCAGS0004 KNApSAcK_ID C00005274 NAME Rhamnocitrin 5-glucoside CAS_RN 93091-77-1 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES c(c23)c(OC)cc(c(C(C(=C(c(c4)ccc(c4)O)O3)O)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O M END