LIPID_MAPS_STRUCTURE_DATABASE 40 40 0 0 0 999 V2000 -12.9648 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8354 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9648 0.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0877 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2103 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3328 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4554 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7005 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8232 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9457 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0683 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1909 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3134 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5585 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6811 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1963 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0738 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7061 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5835 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3384 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2159 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7014 -0.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5675 -0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4335 -0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2995 -0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1655 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0316 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8976 -0.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0021 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.9803 0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.4803 0.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.8111 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.0190 -1.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.3870 1.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0801 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 2 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 33 1 0 0 0 37 38 2 0 0 0 35 39 1 1 0 0 26 40 1 0 0 0 M END > LMPK03000042 > Xymarginatin > > C37H64O3 > 556.49 > Polyketides [PK] > Annonaceae acetogenins [PK03] > - > - > > - > - > - > - > - > - > - > - > - > - > - > - > Active > - > https://lipidmaps.org/data/LMSDRecord.php?LMID=LMPK03000042 $$$$