Mol:FLIA1ACS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.9286 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9286 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3723 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3723 -0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2597 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2966 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2966 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2597 -0.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4847 -0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2597 -2.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2645 1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7186 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 0.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9464 0.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2645 1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 2.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7186 2.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7525 0.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 1.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 1.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3074 1.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 1.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3074 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8984 -2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 -2.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 -1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8984 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 -2.6720 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 1 11 1 0 0 0 0 7 12 2 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 18 22 1 0 0 0 0 6 16 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 29 33 1 0 0 0 0 32 8 1 0 0 0 0 S SKP 8 ID FLIA1ACS0002 KNApSAcK_ID C00006146 NAME Puerarin 6''-acetate CAS_RN 124903-94-2 FORMULA C23H22O10 EXACTMASS 458.121296924 AVERAGEMASS 458.41478000000006 SMILES c(C(C4=O)=COc(c42)c(C(C(O)3)OC(COC(C)=O)C(C(O)3)O)c(cc2)O)(c1)ccc(c1)O M END