Mol:057d FLIF
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -2.0581 0.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0581 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3436 -0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 0.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3436 1.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0853 -0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7998 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7998 0.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0853 1.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 -1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 -1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 -0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 -0.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0853 -1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -1.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 -2.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 1.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 0.6139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9923 -3.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -2.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7998 1.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7998 -1.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 1.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0904 2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8049 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0904 3.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 11 2 0 1 2 2 0 7 17 2 0 14 18 1 0 13 19 1 0 9 20 1 0 20 21 1 0 21 16 1 0 19 22 1 0 18 23 1 0 9 24 1 1 8 25 1 1 26 27 1 0 28 26 2 0 1 27 1 0 6 28 1 0 6 1 1 0 26 29 1 0 29 30 1 0 29 31 2 0 S SKP 5 ID 057dFLIF FORMULA C22H18O8 EXACTMASS 410.100167552 AVERAGEMASS 410.37352000000004 SMILES COc(c5)c(OC)cc(c54)C(O)(C(=O)1)C([H])(CO4)Oc(c32)c(ccc(oc(C(C)=O)c3)2)1 M END