Mol:FLIFHXNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 34 0 0 0 0 0 0 0 0999 V2000 -1.5899 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4773 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4773 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6353 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6353 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1914 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1914 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -1.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8132 0.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1916 0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6353 -0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -2.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8914 -1.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1462 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1462 0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1462 2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8914 1.6848 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 7 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 9 1 0 0 0 0 8 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 14 1 0 0 0 0 1 2 1 0 0 0 0 6 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 1 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 S SKP 8 ID FLIFHXNP0002 KNApSAcK_ID C00009587 NAME Millettosin;12a-Hydroxymillettone CAS_RN - FORMULA C22H18O7 EXACTMASS 394.10525293 AVERAGEMASS 394.37412000000006 SMILES c(c64)(c(C=5)c(cc6)OC(C5)(C)C)OC(C1(O)C(=O)4)COc(c3)c1cc(c32)OCO2 M END