Mol:FL2F29NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.4013 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 0.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5139 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5139 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3897 1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9574 0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1158 -0.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 -0.9480 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 4 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 5 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 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 1 21 1 0 0 0 0 21 20 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 ^OCH3 M SBV 1 27 -6.0923 4.2937 S SKP 8 ID FL2F29NP0001 KNApSAcK_ID C00008134 NAME Ovalichromene CAS_RN 61670-30-2 FORMULA C21H20O4 EXACTMASS 336.136159128 AVERAGEMASS 336.38109999999995 SMILES c(c23)(C=1)c(c(OC)cc2C(=O)CC(c(c4)cccc4)O3)OC(C1)(C)C M END