Mol:FL1C19NP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 3.2874 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8437 -0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8437 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7105 -0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 -0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 -1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4845 0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4845 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4845 -1.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8196 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1104 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 1.0487 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 19 28 1 0 0 0 0 S SKP 8 ID FL1C19NP0005 KNApSAcK_ID C00007121 NAME Spinochalcone B CAS_RN 145039-93-6 FORMULA C25H26O3 EXACTMASS 374.18819469799996 AVERAGEMASS 374.47213999999997 SMILES C(C(c(c3)c(c(c(c3)2)C=CC(CCC=C(C)C)(O2)C)O)=O)=Cc(c1)cccc1 M END