Mol:FLIDHXNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -2.5563 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5563 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8874 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3311 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3311 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8874 1.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8198 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8198 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8816 -0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0094 -1.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6041 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6041 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0094 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1124 1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6041 -1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1124 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2878 0.6893 0.0000 O 0 0 0 0 0 0 0 0 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 8 11 1 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 16 1 0 0 0 0 16 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 1 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 8 25 1 0 0 0 0 S SKP 8 ID FLIDHXNP0003 KNApSAcK_ID C00009684 NAME Tuberosin CAS_RN 41347-45-9 FORMULA C20H18O5 EXACTMASS 338.115423686 AVERAGEMASS 338.35392 SMILES c(c52)c(c(cc2C(C4)(O)C(O5)c(c3O4)ccc(O)c3)1)OC(C=C1)(C)C M END