Mol:FLIE1ANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 30 0 0 0 0 0 0 0 0999 V2000 -1.3369 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2243 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2243 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8883 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8883 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6339 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6339 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3378 -0.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 -0.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -0.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6072 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1209 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -1.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 1.3438 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 2 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 9 19 2 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 21 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 1 26 1 0 0 0 0 S SKP 8 ID FLIE1ANI0002 KNApSAcK_ID C00009776 NAME Psoralidin oxide CAS_RN - FORMULA C20H16O6 EXACTMASS 352.094688244 AVERAGEMASS 352.33744 SMILES O(C1Cc(c(O)5)cc(c42)c(c5)OC(c2c(c3)c(o4)cc(O)c3)=O)C1(C)C M END