Mol:FL1DA9NR0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -2.2357 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 -1.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 -0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 -0.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 -1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2104 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8499 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -1.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 -0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 -2.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -0.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2642 0.5361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1510 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 1.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5681 1.6705 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9834 1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8314 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 2.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5929 0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0929 0.8789 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 3 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 11 2 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 10 1 0 0 0 0 7 16 2 0 0 0 0 2 17 1 0 0 0 0 4 18 1 0 0 0 0 19 18 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 19 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 6 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 -2.5929 0.0129 S SKP 8 ID FL1DA9NR0007 KNApSAcK_ID C00008111 NAME Adunctin A CAS_RN 151484-73-0 FORMULA C26H32O4 EXACTMASS 408.23005951199997 AVERAGEMASS 408.52987999999993 SMILES CC(C)[C@@](Oc(c3)c(c(cc(OC)3)O)C(=O)CCc(c2)cccc2)(C1)C=CC(C1)C M END