Mol:FL3FRNNR0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.0719 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6402 -0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3617 0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6496 0.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7906 0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0785 0.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7793 0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4961 0.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5008 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4997 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 2.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0754 1.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 -1.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6402 -1.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0888 2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4645 -0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 -0.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0909 0.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8053 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1452 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7743 -0.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3743 -0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3743 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0888 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7896 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -2.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 -2.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 -2.1691 0.0000 O 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 14 19 1 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 7 1 0 0 0 0 10 23 1 0 0 0 0 23 24 1 0 0 0 0 11 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 21 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 S SKP 8 ID FL3FRNNR0003 KNApSAcK_ID C00013496 NAME Artoindonesianin B;(+)-6,7-Dihydro-6-(1-hydroperoxy-1-methylethyl)-3,9-dihydroxy-11-methoxy-10-[(1E)-3-methyl-1-butenyl]-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one CAS_RN 223386-74-1 FORMULA C26H28O8 EXACTMASS 468.17841787199995 AVERAGEMASS 468.49572 SMILES C(=CC(C)C)c(c(OC)4)c(c(c3c4)C(C(C2)=C(O3)c(c1OC(C(C)(C)OO)2)ccc(c1)O)=O)O M END