Mol:FL2FA9NI0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.5764 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5764 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -0.3192 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0137 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 0.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 0.8828 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5759 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0962 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0241 1.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 0.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4336 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5098 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7953 -1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 19 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 -1.5098 -1.3716 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -1.9336 0.2995 S SKP 8 ID FL2FA9NI0018 KNApSAcK_ID C00008455 NAME Epoxycandidone CAS_RN 109770-91-4 FORMULA C22H24O5 EXACTMASS 368.162373878 AVERAGEMASS 368.42296000000005 SMILES C(C(=O)1)C(c(c4)cccc4)Oc(c(CC(O3)C3(C)C)2)c(c(cc(OC)2)OC)1 M END