Mol:Capillarisin
From Metabolomics.JP
ACD/Labs11200716042D 23 25 0 0 0 0 0 0 0 0 1 V2000 26.5180 -4.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5180 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3661 -3.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3661 -6.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2143 -4.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2143 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8217 -4.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8217 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6698 -3.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6698 -6.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6698 -7.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3661 -7.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0625 -6.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9107 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0625 -3.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1517 -4.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4817 -4.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7854 -4.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7854 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6335 -3.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6335 -6.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4817 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9372 -6.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 10 11 2 0 0 0 0 8 10 1 0 0 0 0 9 7 1 0 0 0 0 4 12 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 5 15 1 0 0 0 0 7 16 1 0 0 0 0 19 18 1 0 0 0 0 20 18 2 0 0 0 0 21 19 2 0 0 0 0 17 20 1 0 0 0 0 22 21 1 0 0 0 0 22 17 2 0 0 0 0 19 23 1 0 0 0 0 16 17 1 0 0 0 0 S SKP 5 ID Capillarisin FORMULA C16H12O7 EXACTMASS 316.058302738 AVERAGEMASS 316.26228000000003 SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(Oc(c2)ccc(O)c2)=C1 M END