Mol:FLICWXNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.4439 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4439 0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8876 -0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8876 0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 -1.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 -1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -1.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 0.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7432 -1.3471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1218 -1.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5565 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5565 0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0002 -0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5565 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1218 0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -0.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6095 -0.8904 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 2 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 1 11 1 0 0 0 0 8 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 17 2 0 0 0 0 17 12 1 0 0 0 0 13 18 1 0 0 0 0 19 15 1 0 0 0 0 11 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 2 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 3 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 28 M SMT 1 OCH3 M SBV 1 28 -5.7949 2.8988 S SKP 8 ID FLICWXNP0002 KNApSAcK_ID C00009756 NAME Neorauflavene CAS_RN 53734-75-1 FORMULA C21H20O5 EXACTMASS 352.13107375 AVERAGEMASS 352.3805 SMILES c(c1)(C(C4)=Cc(c(O4)2)c(c(C=3)c(OC(C3)(C)C)c2)OC)c(O)cc(O)c1 M END