Mol:FL2FAANF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0590 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0245 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0245 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 -0.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 -1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -1.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 0.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0997 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6632 0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5618 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 1.8699 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 1 19 1 0 0 0 0 15 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 5 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 6 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 S SKP 8 ID FL2FAANF0001 KNApSAcK_ID C00008425 NAME Lonchocarpol C;(-)-Lonchocarpol C CAS_RN 111545-13-2 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES C(C(O4)Cc(c43)c(c(c(O)c3CC=C(C)C)1)OC(c(c2)ccc(c2)O)CC1=O)(C)(C)O M END