Mol:Test.mol
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000 -2.2321 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7882 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1511 0.5467 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 1 17 1 0 0 0 0 3 18 1 0 0 0 0 13 19 1 0 0 0 0 5 20 1 0 0 0 0 20 21 1 0 0 0 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 21 M SMT 1 OCH3 M SBV 1 21 -4.4150 2.9392 S SKP 8 ID FL1CBANS0001 KNApSAcK_ID C00006954 NAME Helichrysetin;4,2',4'-Trihydroxy-6'-methoxychalcone CAS_RN 62014-87-3 FORMULA C16H14O5 EXACTMASS 286.084123558 AVERAGEMASS 286.27936 SMILES COc(c1)c(C(=O)C=Cc(c2)ccc(O)c2)c(O)cc(O)1 M END
