Mol:FL1CA9NP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 2.0958 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6521 -0.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2084 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2084 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6521 0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 -0.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2782 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 -1.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2782 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8308 0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8308 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8308 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 0.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2956 0.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4873 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0386 0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4885 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2745 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2782 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8308 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2084 -0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4403 1.5942 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 17 16 1 0 0 0 0 14 18 1 0 0 0 0 12 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 15 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 13 1 0 0 0 0 20 27 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 S SKP 8 ID FL1CA9NP0005 KNApSAcK_ID C00007088 NAME Flemiculosin CAS_RN 89354-00-7 FORMULA C25H24O4 EXACTMASS 388.167459256 AVERAGEMASS 388.45565999999997 SMILES C(=Cc(c4)cccc4)C(c(c(O)2)c(c1c(O3)c2C=CC3(C)C)OC(C=C1)(C)C)=O M END