Mol:FL5FDFNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.0345 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0298 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3991 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4587 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4634 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7536 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5371 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1129 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7536 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2488 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0573 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7006 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1266 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2405 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9431 0.6081 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 10 20 1 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 11 23 1 0 0 0 0 13 24 1 0 0 0 0 20 25 1 0 0 0 0 19 26 1 0 0 0 0 24 27 1 0 0 0 0 S SKP 8 ID FL5FDFNM0001 KNApSAcK_ID C00013512 NAME 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one CAS_RN 54945-91-4 FORMULA C20H20O7 EXACTMASS 372.120902994 AVERAGEMASS 372.3686 SMILES c(c1)c(OC)c(cc1C(O2)=C(C(c(c(O)3)c2cc(OC)c3C)=O)OC)OC M END