Mol:FL2FACNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.0787 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5579 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5579 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0048 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0048 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5252 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0595 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0595 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5252 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5579 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5991 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0595 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5962 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1274 -0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5962 0.8608 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 2 18 1 0 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 16 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 S SKP 8 ID FL2FACNF0001 KNApSAcK_ID C00008510 NAME Velloeriodictyol CAS_RN 152075-97-3 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES c(c1)c(C(C4)Oc(c3)c(C(=O)4)c(O)c(c23)CC(O2)C(C)=C)cc(c(O)1)O M END