Mol:FLIC1LNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.3745 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8182 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2619 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2619 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8182 1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1493 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1493 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 1.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0016 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5964 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5964 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0016 0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1912 -0.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9306 1.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0016 -1.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7893 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 -0.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 -0.8547 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 13 19 1 0 0 0 0 15 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 22 24 2 0 0 0 0 12 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 ^OCH3 M SBV 1 27 -7.0242 4.8792 S SKP 8 ID FLIC1LNI0002 KNApSAcK_ID C00009732 NAME alpha,alpha-dimethylallylcyclolobin CAS_RN 58210-35-8 FORMULA C21H24O5 EXACTMASS 356.162373878 AVERAGEMASS 356.41226 SMILES c(c(C(C)(C)C=C)1)c(C(C2)Cc(c3)c(cc(O)c3)O2)c(c(c(O)1)O)OC M END