Mol:FL2FA9NC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -0.8195 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8195 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2931 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2931 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8494 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4057 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4057 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8494 0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5288 0.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5288 1.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8494 -1.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 -1.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3756 0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3756 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5183 0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 -0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5183 -0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5183 -1.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 1 2 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 5 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 S SKP 8 ID FL2FA9NC0001 KNApSAcK_ID C00008178 NAME Isochamanetin CAS_RN 58777-17-6 FORMULA C22H18O5 EXACTMASS 362.115423686 AVERAGEMASS 362.37532000000004 SMILES O=C(C3)c(c2OC3c(c4)cccc4)c(c(c(c2)O)Cc(c1)c(ccc1)O)O M END