Mol:FLIAAANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -1.4489 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9272 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9272 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5613 -0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5613 -0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9272 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1144 -2.1856 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 5 1 0 0 0 0 8 11 1 0 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 3 18 1 0 0 0 0 19 2 1 0 0 0 0 14 20 1 0 0 0 0 21 1 1 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 13 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FLIAAANI0003 KNApSAcK_ID C00009515 NAME Lupalbigenin;5,7,4'-Trihydroxy-6,3'-diprenylisoflavone CAS_RN 76754-24-0 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES O(c23)C=C(C(c2c(c(CC=C(C)C)c(c3)O)O)=O)c(c1)cc(c(c1)O)CC=C(C)C M END