Mol:FL7AAGGL0073
From Metabolomics.JP
FL7AAGGL0072.mol ChemDraw12051215263D 42 47 0 0 0 0 0 0 0 0999 V2000 0.1950 0.4125 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5195 0.8250 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 0.4125 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5195 1.6500 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 0.8250 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -0.4125 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 2.0626 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 2.0625 -2.5960 O 0 3 0 0 0 5 0 0 0 0 0 0 -1.9485 1.6500 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 0.4125 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 -0.8250 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1949 2.8875 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 1.6501 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 2.0625 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -0.4125 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3775 0.8250 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 -1.6500 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 3.3000 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 2.0625 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 1.6500 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2341 -2.0625 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6631 -2.0625 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 2.8875 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9094 4.1250 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3384 1.6500 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0919 2.0625 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2341 -2.8876 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -2.8875 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3384 3.3000 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 -3.3000 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 -4.1250 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0919 -0.2666 -1.0777 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4293 0.3271 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5641 0.9096 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 0.2404 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 0.4527 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 0.2404 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 0.9096 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3118 0.6973 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8033 0.8909 2.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 1.2272 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 0.6969 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 3 5 1 0 3 6 1 0 4 7 1 0 4 8 2 0 5 9 2 0 5 10 1 0 6 11 2 0 7 12 2 0 7 13 1 0 8 9 1 0 9 14 1 0 10 15 1 0 10 16 2 0 11 15 1 0 11 17 1 0 12 18 1 0 13 19 2 0 14 20 2 0 16 20 1 0 17 21 2 0 17 22 1 0 18 23 2 0 18 24 1 0 19 23 1 0 19 25 1 0 20 26 1 0 21 27 1 0 22 28 2 0 23 29 1 0 27 30 2 0 28 30 1 0 30 31 1 0 34 35 1 0 35 36 1 1 36 37 1 1 38 37 1 1 38 39 1 0 39 34 1 0 34 40 1 0 39 41 1 0 37 33 1 0 38 42 1 0 32 33 1 0 35 1 1 0 M CHG 1 8 1 S SKP 5 ID FL7AAGGL0073 FORMULA C29H25O13 EXACTMASS 581.129515886 AVERAGEMASS 581.501 SMILES c(c(O)5)c(c42)[o+1]c(c(OC(O6)C(O)C(O)C(O)C(CO)6)c2C=C(Oc4c5)c(c3)ccc(c3)O)c(c1)cc(O)c(O)c(O)1 M END