Mol:FLIAAACS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.9830 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -1.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8704 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8704 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 -1.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2422 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2422 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 -0.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 -2.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5391 -0.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1813 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7868 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5231 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0597 0.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3648 1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 2.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8217 2.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1654 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 -2.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9591 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9591 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 -1.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 -2.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -2.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9296 1.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2152 1.3535 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 1 12 1 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 6 16 1 0 0 0 0 8 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 3 29 1 0 0 0 0 18 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 CH2OH M SBV 1 33 -6.9475 5.7873 S SKP 8 ID FLIAAACS0002 KNApSAcK_ID C00006118 NAME Genistein 8-C-glucoside CAS_RN 66026-80-0 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES C(C(O)1)(c(c(O)4)c(c(c(O)c4)3)OC=C(C3=O)c(c2)ccc(O)c2)OC(CO)C(O)C1O M END
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