Mol:FL2FALNP0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.7669 -1.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 -1.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7669 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -2.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2872 -0.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -1.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -0.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 -0.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -2.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9058 -0.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9058 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4401 0.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8455 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3197 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3197 0.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 1.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 1.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8783 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4401 1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7278 2.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 4 1 0 0 0 0 11 13 1 0 0 0 0 9 14 2 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 13 1 0 0 0 0 20 17 1 0 0 0 0 18 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 19 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL2FALNP0010 KNApSAcK_ID C00008381 NAME Sanggenon I CAS_RN 86450-79-5 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c2O)cc(C(C3)Oc(c4)c(c(cc4O)O)C3=O)c(c21)OC(CCC=C(C)C)(C=C1)C M END