Mol:FL1C19NP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.0457 0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0457 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 -0.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -0.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7356 -0.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8527 -0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8527 0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -1.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 -1.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3027 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 -0.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 -0.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4137 -0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 -1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6018 0.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0455 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1741 0.8588 0.0000 C 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 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 3 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 2 19 1 0 0 0 0 1 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 23 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 S SKP 8 ID FL1C19NP0004 KNApSAcK_ID C00007055 NAME Spinochalcone C CAS_RN 146959-79-7 FORMULA C25H26O3 EXACTMASS 374.18819469799996 AVERAGEMASS 374.47213999999997 SMILES CC(C)(O1)C=Cc(c2)c1c(c(O)c2C(=O)C=Cc(c3)cccc3)CC=C(C)C M END