Mol:053a FLIF
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -2.1511 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1511 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 1.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4206 -0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1843 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9481 -1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9481 -0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1843 -0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1512 2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8657 1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8656 1.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 2.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6626 1.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 -1.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1843 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1512 3.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7223 2.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 1.4863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 -0.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4206 -1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1843 -2.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 -1.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 -2.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 -3.1363 0.0000 C 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 6 1 1 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 12 13 2 0 14 15 2 0 15 11 1 0 1 2 2 0 6 16 1 0 16 17 1 0 17 18 1 0 1 19 1 0 18 19 1 0 18 20 1 0 18 21 1 0 14 13 1 0 13 22 1 0 15 23 1 0 17 24 1 6 16 25 1 1 9 26 1 0 26 23 1 0 9 27 1 1 8 28 1 1 11 29 2 0 29 12 1 0 12 30 1 0 7 31 2 0 22 32 1 0 30 33 1 0 S SKP 5 ID 053a FLID FORMULA C23H24O8 EXACTMASS 428.14711774399996 AVERAGEMASS 428.43186000000003 SMILES COc(c5)c(OC)cc(c54)C([H])(C(=O)1)C([H])(CO4)Oc(c32)c(ccc(OC(C)(C)C(O)C(O)3)2)1 M END