Mol:FL1DAAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 36 0 0 0 0 0 0 0 0999 V2000 -0.8980 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1836 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1836 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2454 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9598 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9598 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6743 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1033 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1033 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6743 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2454 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1214 0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5564 0.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1836 -1.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2565 0.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7839 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1964 0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4465 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6533 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 1.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6963 0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3803 0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1222 -0.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6963 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1222 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7016 -1.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6045 -1.3334 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 18 23 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 S SKP 8 ID FL1DAAGS0005 KNApSAcK_ID C00014629 NAME Phloretin 2'-O-(2''-O-Acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(2''-O-Acetylglucoside) CAS_RN 647853-82-5 FORMULA C23H26O11 EXACTMASS 478.147511674 AVERAGEMASS 478.44594 SMILES C(c(c3)ccc(O)c3)CC(=O)c(c(O)1)c(O)cc(OC(O2)C(OC(C)=O)C(O)C(O)C2CO)c1 M END