Mol:FLIDAANF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -1.6936 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5316 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5316 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 -2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 -0.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8715 -2.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2307 1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8715 1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 -1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 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 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 3 25 1 0 0 0 0 S SKP 8 ID FLIDAANF0001 KNApSAcK_ID C00009645 NAME Apiocarpin CAS_RN 83919-96-4 FORMULA C20H18O5 EXACTMASS 338.115423686 AVERAGEMASS 338.35392 SMILES c(c25)(c1cc(c2C(C(CO5)3)Oc(c4)c3ccc(O)4)O)CC(O1)C(C)=C M END