Mol:FL5F1GNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4277 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1421 0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1421 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1445 0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1445 0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 1.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -2.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5711 0.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7158 -1.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 1.3519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 2.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 0.1145 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 1 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 2 1 0 0 0 0 9 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 7 17 2 0 0 0 0 4 18 1 0 0 0 0 8 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 S SKP 8 ID FL5F1GNS0003 KNApSAcK_ID C00013361 NAME Laurentinol;3,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 244248-20-2 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c1)c(O)c(OC)cc1C(O2)=C(O)C(=O)c(c3)c(cc(O)c3)2 M END