Mol:FL3FRNNP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 42 0 0 0 0 0 0 0 0999 V2000 1.4726 -1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 -0.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1945 -0.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2097 0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 -1.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9316 0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9467 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 1.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0287 -1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7355 -2.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4574 -2.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 0.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 -3.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2236 -3.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6629 -0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3848 -1.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 -2.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0916 -0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8135 -1.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8287 -1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1219 -2.3661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 0.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -3.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6384 -1.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -2.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 2.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 2.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7961 2.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7961 1.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 3.3858 0.0000 C 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 5 2 0 0 0 0 2 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 1 1 0 0 0 0 8 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 12 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 13 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 20 28 1 0 0 0 0 23 29 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 10 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 11 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 S SKP 8 ID FL3FRNNP0007 KNApSAcK_ID C00013492 NAME Artonol C;9,12-Dihydro-6,10,15-trihydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthen-7-one CAS_RN 186824-59-9 FORMULA C30H28O7 EXACTMASS 500.18350325 AVERAGEMASS 500.53912 SMILES C(C(C)(C)6)=Cc(c(O6)1)c(O5)c(C(=O)C(=C45)CC(C(C)=C)c(c43)c(O)c(c(c(O)3)2)OC(C)(C)C=C2)c(O)c1 M END