Mol:FL2FAANF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0025 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5601 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5601 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5601 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1358 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6701 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6701 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1358 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 -1.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1946 0.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5745 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9281 -0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5745 -1.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5289 -0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8294 -1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1946 -0.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 1.7647 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 15 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 5 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 S SKP 8 ID FL2FAANF0002 KNApSAcK_ID C00008426 NAME Lonchocarpol D CAS_RN 111545-14-3 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES C(c(c4)ccc(c4)O)(C3)Oc(c2C(=O)3)c(c(c(c2O)1)OC(C1)C(C)(C)O)CC=C(C)C M END