Mol:FL2FABNN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -2.0949 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3807 1.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0949 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3797 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0492 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0483 1.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8203 2.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1056 2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3914 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 -0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3793 -0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 2.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0915 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8096 1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5239 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5239 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8096 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0915 1.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8096 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5241 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5241 -1.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8096 -2.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 -1.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8096 -2.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 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 4 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 3 1 0 0 0 0 22 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 S SKP 8 ID FL2FABNN0001 KNApSAcK_ID C00014281 NAME Calomelanol G;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione CAS_RN 143228-44-8 FORMULA C25H20O7 EXACTMASS 432.120902994 AVERAGEMASS 432.4221 SMILES C(c(c5)ccc(c5)O)(C4)c(c3OC4=O)c(O)c(c(c3)1)C(CC(c(c2)ccc(c2)OC)O1)=O M END