Mol:FL2FALNP0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.3846 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3846 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2844 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8407 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8407 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2844 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3967 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5307 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5307 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3967 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2844 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0975 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9404 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8299 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0975 -0.4818 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 9 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 14 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 16 25 1 0 0 0 0 1 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 2 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 S SKP 8 ID FL2FALNP0006 KNApSAcK_ID C00008359 NAME Flemichin D CAS_RN 57096-07-8 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(O3)(c(C(CC(c(c4)c(O)cc(O)c4)3)=O)2)c(CC=C(C)C)c(O1)c(c2O)C=CC1(C)C M END