Mol:FL3FCANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -0.7151 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7151 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 -2.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 1.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8585 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 -2.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5718 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 2.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4307 2.4747 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 18 14 1 0 0 0 0 4 19 1 0 0 0 0 6 20 1 0 0 0 0 19 21 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FL3FCANI0001 KNApSAcK_ID C00013410 NAME Artonin U;5-hydroxy-2-(4-Hydroxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 123549-17-7 FORMULA C21H20O5 EXACTMASS 352.13107375 AVERAGEMASS 352.3805 SMILES COc(c3)c(CC=C(C)C)c(c(c(O)3)2)OC(=CC(=O)2)c(c1)ccc(O)c1 M END