Mol:PR100637
From Metabolomics.JP
ISISHOST03240423252D 1 1.00000 0.00000 9250 19 21 0 0 0 999 V2000 -1.0552 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0517 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3379 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7690 -0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3310 1.3793 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7690 1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0.3759 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3414 -1.1103 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4897 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0.3793 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4897 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 1.0931 -0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2069 1.3828 0.0000 O 0 0 0 0 0 0 0 0 0 1.0862 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 1.8103 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 1.8035 -1.5345 0.0000 C 0 0 0 0 0 0 0 0 0 2.5276 -0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 2.5241 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 3.2414 -1.5414 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 2 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 7 12 1 0 0 0 11 13 1 0 0 0 12 14 2 0 0 0 12 15 1 0 0 0 14 16 1 0 0 0 15 17 2 0 0 0 16 18 2 0 0 0 18 19 1 0 0 0 7 10 2 0 0 0 9 11 1 0 0 0 17 18 1 0 0 0 S SKP 7 CAS_RN 486-66-8 NAME Daidzein ID PR100637 FORMULA C15H10O4 EXACTMASS 254.05790880799998 AVERAGEMASS 254.2375 SMILES Oc(c3)ccc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 M END