Mol:FL3FRNNR0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -0.7371 -0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7324 0.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0273 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6919 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 0.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1255 0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4422 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4562 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8345 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8317 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1194 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4562 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0273 -1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5462 2.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0733 -0.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7996 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1293 -0.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4979 -1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9268 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -2.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8317 0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5462 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 14 19 1 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 7 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 10 27 1 0 0 0 0 27 28 1 0 0 0 0 S SKP 8 ID FL3FRNNR0006 KNApSAcK_ID C00013502 NAME Oxyisocyclointegrin;6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one CAS_RN 60791-47-1 FORMULA C21H20O7 EXACTMASS 384.120902994 AVERAGEMASS 384.37929999999994 SMILES C(C=24)C(Oc(c1)c(C2Oc(c3)c(C4=O)c(cc(OC)3)O)ccc(O)1)C(C)(C)O M END