Mol:FL3F2CNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -1.8717 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8717 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 -1.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2028 -1.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3535 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3535 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2028 0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2028 -1.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9096 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0435 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0435 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9096 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8717 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8234 1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6662 0.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6662 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5862 -0.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8717 -1.0554 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 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 20 21 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 31 M SMT 1 ^OCH3 M SBV 1 31 -8.4396 3.9801 S SKP 8 ID FL3F2CNP0001 KNApSAcK_ID C00004046 NAME Isopongachromene CAS_RN 86894-36-2 FORMULA C22H18O6 EXACTMASS 378.110338308 AVERAGEMASS 378.37472 SMILES c(O5)(c4OC5)cc(cc4)C(O1)=CC(c(c3)c(c(c(c3OC)2)C=CC(O2)(C)C)1)=O M END