Mol:FL2FALNI0034
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -4.9492 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9306 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1535 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4986 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2101 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7437 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0699 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0791 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3647 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0378 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3739 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7437 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6637 0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7601 1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1535 -1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 -0.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8028 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4694 0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6535 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2911 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0242 0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0242 -0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6637 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 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 1 1 0 0 0 0 4 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 5 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 1 18 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL2FALNI0034 KNApSAcK_ID C00014187 NAME Sanggenol A;5,7,2',4'-Tetrahydroxy-3'-geranylflavanone CAS_RN 174423-30-4 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES C(=CCc(c1O)c(O)c(C(O3)CC(c(c23)c(cc(c2)O)O)=O)cc1)(C)CCC=C(C)C M END