Mol:FL2FA9NI0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.5764 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 -0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5764 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -0.5728 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0137 -0.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -1.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 0.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 1.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0962 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 2.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4717 -1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6498 -1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 0.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4335 0.9121 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 5 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 28 M SMT 2 OCH3 M SVB 2 28 -1.9336 0.046 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 -1.5689 -1.5911 S SKP 8 ID FL2FA9NI0017 KNApSAcK_ID C00008423 NAME Quercetol C CAS_RN 119061-08-4 FORMULA C22H24O5 EXACTMASS 368.162373878 AVERAGEMASS 368.42296000000005 SMILES c(c(OC)1)c(OC)c(C(=O)2)c(OC(c(c3)cccc3)C2)c1C=CC(C)(C)O M END