Mol:FL5FECNS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.2410 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9555 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9555 -0.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -1.1394 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 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 16 21 1 0 0 0 0 15 22 1 0 0 0 0 22 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 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SBV 1 24 -6.2901 3.6782 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 ^OCH3 M SBV 2 26 -7.5714 3.4423 S SKP 8 ID FL5FECNS0015 KNApSAcK_ID C00004690 NAME Laciniatin;3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one CAS_RN 74161-28-7 FORMULA C17H14O8 EXACTMASS 346.068867424 AVERAGEMASS 346.28826 SMILES COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c(OC)2)1 M END