Mol:FLIC1LNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -2.3052 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3052 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 2.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9245 2.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 -0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8967 -0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2397 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8974 -2.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9245 -1.5480 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 8 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 17 1 1 0 0 0 0 16 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 S SKP 8 ID FLIC1LNF0001 KNApSAcK_ID C00010031 NAME Crotmarine CAS_RN 92662-85-6 FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES c(c4)c(C1)c(cc(O)4)OCC(c(c3)c(O)cc(c23)OC(C2)C(C)=C)1 M END