Mol:FL2FA9NN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -1.4596 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7453 1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7444 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0302 0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0306 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3988 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 1.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 1.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7419 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4561 1.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 2.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 2.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0267 2.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6849 -0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 -0.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1743 1.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8885 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8885 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1743 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1743 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8888 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8888 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1743 -2.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4598 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4598 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1743 -2.9411 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 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 3 1 0 0 0 0 20 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 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 24 1 0 0 0 0 27 30 1 0 0 0 0 S SKP 8 ID FL2FA9NN0001 KNApSAcK_ID C00014283 NAME Calomelanol I;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione CAS_RN 143228-46-0 FORMULA C24H18O6 EXACTMASS 402.110338308 AVERAGEMASS 402.39612 SMILES C(c(c5)ccc(c5)O)(C4)c(c3OC4=O)c(O)c(c(c3)1)C(=O)CC(c(c2)cccc2)O1 M END