Mol:FL1B19NF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 26 0 0 0 0 0 0 0 0999 V2000 -0.2937 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 -1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4205 -2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9612 -2.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2147 -1.5785 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0696 -0.9967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5284 -0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6935 -1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0797 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3709 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2445 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3709 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8457 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -1.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0142 -2.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 -0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2247 0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1909 -2.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.5896 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 3 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 4 1 0 0 0 0 8 20 1 0 0 0 0 20 21 1 0 0 0 0 7 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -0.5768 -0.8761 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 0.959 -0.0978 S SKP 8 ID FL1B19NF0002 KNApSAcK_ID C00008073 NAME Castillene B CAS_RN 126585-61-3 FORMULA C19H18O4 EXACTMASS 310.120509064 AVERAGEMASS 310.34382 SMILES C(C(O4)(C(c(c43)ccc(c32)occ2)OC)OC)c(c1)cccc1 M END