Mol:FLID1ANP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 34 0 0 0 0 0 0 0 0999 V2000 -1.8568 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1821 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4312 1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -0.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4312 -1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -1.9397 0.0000 C 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 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 14 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FLID1ANP0005 KNApSAcK_ID C00009665 NAME Folinin CAS_RN 26992-36-9 FORMULA C25H26O4 EXACTMASS 390.18310931999997 AVERAGEMASS 390.47153999999995 SMILES O(C(C)(C)6)c(c(CC6)1)cc(O5)c(C(C(C5)2)Oc(c34)c2ccc3OC(C)(C)C=C4)c1 M END