Mol:FL1C99GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -0.6328 0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6328 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0788 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0788 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0289 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5815 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6829 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7597 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7597 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 0.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6829 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1865 0.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0289 -1.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2459 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3402 0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8244 0.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1992 0.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6668 0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7597 0.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4533 -0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0653 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2684 0.9325 0.0000 O 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 1 16 1 0 0 0 0 7 17 2 0 0 0 0 18 19 1 1 0 0 0 19 20 1 1 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 16 21 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 ^CH2OH M SBV 1 29 -7.0908 4.1437 S SKP 8 ID FL1C99GS0001 KNApSAcK_ID C00007181 NAME 4'-Hydroxychalcone 4'-glucoside CAS_RN 82784-43-8 FORMULA C21H22O7 EXACTMASS 386.136553058 AVERAGEMASS 386.39518 SMILES C(Oc(c2)ccc(C(=O)C=Cc(c3)cccc3)c2)(O1)C(O)C(O)C(O)C1CO M END