Mol:FL1C3CGS0026
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 36 0 0 0 0 0 0 0 0999 V2000 -0.9373 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9206 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9206 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6351 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6351 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 -2.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8316 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0565 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 -0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 0.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4984 0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7098 0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7453 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3027 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 -0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 -2.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 0.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7453 1.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 -1.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 2.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3429 1.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 -2.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 2.4132 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 2 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 17 18 1 1 0 0 0 18 19 1 1 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 22 23 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 3 27 1 0 0 0 0 1 28 1 0 0 0 0 13 29 1 0 0 0 0 2 30 1 0 0 0 0 14 31 1 0 0 0 0 20 28 1 0 0 0 0 32 23 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 S SKP 8 ID FL1C3CGS0026 KNApSAcK_ID C00014514 NAME 2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside CAS_RN 207906-26-1 FORMULA C23H26O11 EXACTMASS 478.147511674 AVERAGEMASS 478.44594 SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)cc(c(c3)O)OC)c(O)2)OC(CO)C1O M END