Mol:FL1C1ANP0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 1.5537 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2967 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2594 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2594 -1.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2224 0.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0295 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -1.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0295 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5796 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 -0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 -1.2052 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 5 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 19 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 4 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 2.8651 -0.4116 S SKP 8 ID FL1C1ANP0008 KNApSAcK_ID C00007094 NAME Pongachalcone II CAS_RN 64173-09-7 FORMULA C21H20O5 EXACTMASS 352.13107375 AVERAGEMASS 352.3805 SMILES c(c1C=CC(c(c3O)ccc(c32)OC(C=C2)(C)C)=O)c(c(O)cc1)OC M END