Mol:FL1CAANP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 1.7689 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1577 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1577 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1577 -1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4378 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8156 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8156 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4378 -0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1577 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0527 0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0527 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4402 1.5312 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 18 5 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 15 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 13 25 1 0 0 0 0 12 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 25 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 S SKP 8 ID FL1CAANP0002 KNApSAcK_ID C00007103 NAME Laxichalcone CAS_RN 138079-68-2 FORMULA C25H24O5 EXACTMASS 404.162373878 AVERAGEMASS 404.45506 SMILES Oc(c1)ccc(C=CC(c(c(O)3)c(c2c(O4)c3C=CC4(C)C)OC(C=C2)(C)C)=O)c1 M END