Mol:FL1DAAGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 39 0 0 0 0 0 0 0 0999 V2000 -1.7862 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -3.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1337 1.7347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 2.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0324 2.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 3.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3295 3.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 3.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 1.6311 0.0000 O 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 4 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 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 5 17 1 0 0 0 0 1 23 1 0 0 0 0 3 19 1 0 0 0 0 13 18 1 0 0 0 0 19 21 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 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 17 30 1 0 0 0 0 S SKP 8 ID FL1DAAGS0006 KNApSAcK_ID C00014632 NAME Zosterin;4,2'-Dihydroxy-4',6'-diacetoxydihydrochalcone 2'-O-glucoside CAS_RN 145039-89-0 FORMULA C25H28O12 EXACTMASS 520.15807636 AVERAGEMASS 520.48262 SMILES C(CC(c(c2OC(C3O)OC(CO)C(O)C3O)c(OC(C)=O)cc(OC(C)=O)c2)=O)c(c1)ccc(O)c1 M END