Mol:FL2FALNI0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.5627 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 -1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5209 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5209 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 -0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 -0.7512 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0001 -0.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 -0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5756 -0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1099 -0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1099 0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5756 0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 -2.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 0.4517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0836 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 -0.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 0.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5023 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6443 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1841 1.6511 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 2 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 6 1 0 0 0 0 15 23 1 0 0 0 0 21 24 1 0 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 21 22 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 21 30 1 0 0 0 0 17 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 0.684 0.785 S SKP 8 ID FL2FALNI0020 KNApSAcK_ID C00008523 NAME Leachianone B CAS_RN 138870-83-4 FORMULA C26H30O6 EXACTMASS 438.204238692 AVERAGEMASS 438.51279999999997 SMILES C(C=C(C)C)C(C(C)(C)1)Cc(c42)c(cc(O)c2C(CC(O4)c(c3OC)ccc(c3)O)=O)O1 M END