Mol:FL1CA9NI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 30 0 0 0 0 0 0 0 0999 V2000 -0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -0.6188 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 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 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 11 1 0 0 0 0 3 17 1 0 0 0 0 5 18 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL1CA9NI0008 KNApSAcK_ID C00014441 NAME 3'-Neryl-2',4',6'-trihydroxychalcone CAS_RN 140158-52-7 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES Oc(c1)c(C(C=Cc(c2)cccc2)=O)c(O)c(CC=C(C)CCC=C(C)C)c(O)1 M END