Mol:FL5FACNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 36 0 0 0 0 0 0 0 0999 V2000 -1.0764 -0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3241 -0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3763 1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0696 1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7449 1.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4937 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5016 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 -1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7903 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0759 2.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 -0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2476 2.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3241 -1.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 -1.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -1.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -2.4902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -1.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2205 -1.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2082 1.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 0.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6371 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1587 0.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9227 1.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9227 2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6371 2.4902 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 5 1 0 0 0 0 2 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 1 2 0 0 0 0 3 12 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 17 2 0 0 0 0 17 7 1 0 0 0 0 11 23 1 0 0 0 0 9 27 1 0 0 0 0 4 18 1 0 0 0 0 18 21 1 0 0 0 0 15 19 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 14 31 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 S SKP 8 ID FL5FACNS0005 KNApSAcK_ID C00013546 NAME 3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)-3-hydroxyphenyl]-4H-1-benzopyran-4-one CAS_RN 475107-94-9 FORMULA C23H18O11 EXACTMASS 470.084911418 AVERAGEMASS 470.38242 SMILES c(c1OC(C)=O)c(c(C(=O)2)c(OC(c(c3)ccc(OC(C)=O)c(O)3)=C2OC(C)=O)c1)OC(C)=O M END