Mol:FLIDHXNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 30 0 0 0 0 0 0 0 0999 V2000 -1.2059 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7055 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7055 0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2954 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7959 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7959 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2954 0.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4156 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9903 -1.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2253 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 -1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9046 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 -1.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1663 -0.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3178 0.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7055 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 0.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1856 1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3341 1.0245 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 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 12 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 13 1 0 0 0 0 15 18 1 0 0 0 0 7 19 1 6 0 0 0 8 20 1 6 0 0 0 6 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 23 25 1 1 0 0 0 23 26 1 6 0 0 0 S SKP 8 ID FLIDHXNP0001 KNApSAcK_ID C00002530 NAME (-)-Glyceollin I CAS_RN 57103-57-8 FORMULA C20H18O5 EXACTMASS 338.115423686 AVERAGEMASS 338.35392 SMILES C([H])(c35)(C(COc3c(c(cc5)4)C=CC(C)(C)O4)(O)1)Oc(c2)c(ccc(O)2)1 M END