Mol:FL4DALNI0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 39 0 0 0 0 0 0 0 0999 V2000 -5.0276 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3075 -0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0363 -1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3235 -2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6079 -1.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5967 -0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8948 -2.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1768 -1.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -0.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8766 -0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 -0.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 0.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7201 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0118 0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 -0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7381 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9098 -2.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3384 -2.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7344 -0.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4699 -2.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 0.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7381 -1.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7279 -0.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4374 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1518 -0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1518 -1.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 -0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5502 -0.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3272 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0545 -0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0545 -1.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7344 -0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7201 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4051 1.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4051 2.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8261 2.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 2.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 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 7 17 2 0 0 0 0 4 18 1 0 0 0 0 8 20 1 1 0 0 0 1 19 1 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 13 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 S SKP 8 ID FL4DALNI0010 KNApSAcK_ID C00014387 NAME Sanggenol D;3,5,7,2',4'-Pentahydroxy-5'-prenyl-3'-geranylflavanone CAS_RN 174423-33-7 FORMULA C30H36O7 EXACTMASS 508.246103506 AVERAGEMASS 508.60264000000006 SMILES C(CCC=C(C)C)(=CCc(c3O)c(c(cc3CC=C(C)C)C(O2)C(O)C(=O)c(c12)c(O)cc(c1)O)O)C M END