Mol:FL5FFCGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.7185 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 0.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 -1.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2746 0.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1548 -1.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2002 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8126 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6957 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9502 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4731 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2746 -0.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7635 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 -1.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9147 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 -1.7869 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 1 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 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 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 6 32 1 0 0 0 0 23 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 -4.5208 4.8379 S SKP 8 ID FL5FFCGL0001 KNApSAcK_ID C00005686 NAME Gossypetin 3-glucoside CAS_RN 38965-52-5 FORMULA C21H20O13 EXACTMASS 480.090390726 AVERAGEMASS 480.37569999999994 SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(C(O)3)OC(CO)C(O)C3O)C2=O)c(c1)cc(c(O)c1)O M END