Mol:FL2FA8NI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.2556 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2556 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 -2.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2798 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2798 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2281 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8148 0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 -1.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 6 18 1 0 0 0 0 2 19 1 0 0 0 0 5 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 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 17 27 1 0 0 0 0 13 28 1 0 0 0 0 23 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL2FA8NI0002 KNApSAcK_ID C00008519 NAME Exiguaflavanone A CAS_RN 142608-98-8 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES CC(=C)C(CC=C(C)C)Cc(c1O)c(O2)c(C(CC(c(c(O)3)c(O)ccc3)2)=O)c(c1)O M END