Mol:FL2FAANI0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.0590 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0245 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0245 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 -0.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 -1.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 -0.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -1.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 -0.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 -1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 0.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0585 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0585 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5788 1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0997 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 -1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 -2.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0585 2.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 0.9780 0.0000 O 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 6 19 1 0 0 0 0 1 20 1 0 0 0 0 5 21 1 0 0 0 0 15 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 20 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 24 31 1 0 0 0 0 23 32 1 0 0 0 0 S SKP 8 ID FL2FAANI0013 KNApSAcK_ID C00008424 NAME Lonchocarpol B CAS_RN 111545-12-1 FORMULA C25H30O7 EXACTMASS 442.199153314 AVERAGEMASS 442.50149999999996 SMILES O=C(c32)CC(Oc2c(CC(O)C(C)(C)O)c(O)c(c3O)CC=C(C)C)c(c1)ccc(c1)O M END