Mol:FLIC1LNP0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.4424 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4424 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8861 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8861 1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2265 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 0.3062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7828 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2265 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3389 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3389 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 -1.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 1.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9987 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1233 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 -2.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 -3.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6244 -0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3709 -0.5356 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 12 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 11 2 0 0 0 0 1 2 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 2 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 12 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 0.6244 -0.6323 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 1.5163 -1.2166 S SKP 8 ID FLIC1LNP0008 KNApSAcK_ID C00009733 NAME Sphaerosinin;Spherosinin CAS_RN 56495-96-6 FORMULA C22H24O5 EXACTMASS 368.162373878 AVERAGEMASS 368.42296000000005 SMILES O(c(c(O)4)c(OC)c(cc4)C(C1)COc(c2)c(cc(C=3)c2OC(C)(C)C3)1)C M END