Mol:FL6F1LNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -2.2827 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2827 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -0.1698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6138 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0682 1.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 0.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 1.3150 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 6 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 13 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 16 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -2.64 0.449 S SKP 8 ID FL6F1LNS0001 KNApSAcK_ID C00008774 NAME 2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan CAS_RN 95587-89-6 FORMULA C17H16O5 EXACTMASS 300.099773622 AVERAGEMASS 300.30593999999996 SMILES COc(c4)cc(O1)c(c4)CC[C@H]1c(c2)c(O)cc(O3)c(OC3)2 M END