Mol:FL1DABGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -2.7954 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7954 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3665 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3665 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2059 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2059 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -2.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -0.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4538 -0.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -2.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4221 2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9539 1.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 1.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8975 0.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3655 1.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 1.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7706 2.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 2.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9041 2.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1459 1.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7989 0.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 5 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 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 20 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 13 31 1 0 0 0 0 31 32 1 0 0 0 0 17 23 1 0 0 0 0 S SKP 8 ID FL1DABGS0001 KNApSAcK_ID C00014631 NAME 4-Methoxyphlorizin;2',4',6'-Trihydroxy-4-methoxydihydrochalcone 2'-O-glucoside CAS_RN 4369-35-1 FORMULA C22H26O10 EXACTMASS 450.152597052 AVERAGEMASS 450.43584 SMILES OC(C1O)C(Oc(c(C(=O)CCc(c3)ccc(c3)OC)2)cc(O)cc(O)2)OC(CO)C1O M END