Mol:FLIC1LNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -2.1132 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1132 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6128 -0.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1123 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1123 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6128 0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 -0.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1114 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1114 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6128 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 1.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6503 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6503 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0929 1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2414 0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2839 -0.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8056 -1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8056 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8056 0.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7803 -1.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7803 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2673 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7543 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7543 0.1183 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 6 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 1 1 0 0 0 0 14 16 1 1 0 0 0 14 17 1 6 0 0 0 8 18 1 6 0 0 0 11 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 11 1 0 0 0 0 23 24 1 0 0 0 0 21 25 1 0 0 0 0 22 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 FLIC1LNP0002 KNApSAcK_ID C00002534 NAME Hispaglabridin A CAS_RN 68978-03-0 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES C(c(c4O)c(O)c(cc4)C(C1)(COc(c23)c(ccc(OC(C=C3)(C)C)2)1)[H])C=C(C)C M END