Mol:FL5FEANI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -0.7084 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1372 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4322 -1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8535 1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4388 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4322 -2.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8443 0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8516 -1.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0194 2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7154 2.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1489 -2.6932 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 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 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 1 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 10 20 1 0 0 0 0 21 14 1 0 0 0 0 11 22 1 0 0 0 0 22 23 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 17 30 1 0 0 0 0 S SKP 8 ID FL5FEANI0006 KNApSAcK_ID C00013520 NAME 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one CAS_RN 343337-04-2 FORMULA C22H24O8 EXACTMASS 416.14711774399996 AVERAGEMASS 416.42116000000004 SMILES C(C(C)CCc(c1)c(O)ccc1C(=C3O)Oc(c(C3=O)2)cc(O)c(OC)c(OC)2)O M END