Mol:FLIAALNI0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.8958 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4517 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -0.0609 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 3 17 1 0 0 0 0 7 18 2 0 0 0 0 15 19 1 0 0 0 0 14 20 1 0 0 0 0 19 21 1 0 0 0 0 6 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 1 27 1 0 0 0 0 21 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 16 31 1 0 0 0 0 S SKP 8 ID FLIAALNI0018 KNApSAcK_ID C00009936 NAME 2'-Hydroxyisolupalbigenin;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavone CAS_RN 121747-94-2 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c3CC=C(C)C)(ccc(c3O)C(=C2)C(c(c1O2)c(O)cc(O)c(CC=C(C)C)1)=O)O M END