Mol:FLIE1ANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -0.9749 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4745 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4745 1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5264 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0269 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0269 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5264 1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4161 1.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6466 -0.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4563 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1356 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3707 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4753 -1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9752 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4753 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9752 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 9 25 2 0 0 0 0 S SKP 8 ID FLIE1ANI0001 KNApSAcK_ID C00002566 NAME Psoralidin;3,9-Dihydroxy-2-prenylcoumestan CAS_RN 18642-23-4 FORMULA C20H16O5 EXACTMASS 336.099773622 AVERAGEMASS 336.33804000000003 SMILES c(c42)(c1OC(c2c(c3)c(o4)cc(O)c3)=O)cc(c(O)c1)CC=C(C)C M END