Mol:FLIAALND0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -2.3599 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1347 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1347 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4214 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4214 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6109 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6109 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3539 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0401 -0.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4721 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4721 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4721 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0401 0.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 0.7425 0.0000 O 0 0 0 0 0 0 0 0 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 5 1 0 0 0 0 8 11 1 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 16 1 0 0 0 0 16 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 2 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 19 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 16 32 1 0 0 0 0 S SKP 8 ID FLIAALND0001 KNApSAcK_ID C00009930 NAME Lupinisoflavone L CAS_RN 128700-27-6 FORMULA C25H24O7 EXACTMASS 436.152203122 AVERAGEMASS 436.45385999999996 SMILES c(O)(c54)c(c1cc(OC(C=C5)(C)C)4)C(=O)C(c(c(O)2)ccc(O3)c2CC3C(C)(C)O)=CO1 M END