Mol:FL4DALNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 39 0 0 0 0 0 0 0 0999 V2000 -1.0762 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0344 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0344 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0762 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0074 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0074 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1134 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6353 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6353 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1134 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 0.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5434 -1.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5971 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1164 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1572 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6361 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1553 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6361 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0699 0.9409 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 7 11 2 0 0 0 0 2 12 1 0 0 0 0 9 13 1 6 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 8 20 1 1 0 0 0 6 21 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 1 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 18 37 1 0 0 0 0 S SKP 8 ID FL4DALNI0002 KNApSAcK_ID C00008644 NAME Kushenol M CAS_RN 101236-51-5 FORMULA C30H36O7 EXACTMASS 508.246103506 AVERAGEMASS 508.60264000000006 SMILES c(c1)c(cc(O)c1C(C3O)Oc(c2CC(CC=C(C)C)C(C)=C)c(C3=O)c(O)c(CC=C(C)C)c2O)O M END