LMPK03000101 LIPID_MAPS_STRUCTURE_DATABASE 39 39 0 0 0 999 V2000 -28.5342 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.5342 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.6570 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.7794 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.9018 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.0242 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.6664 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7888 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9112 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0336 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1560 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2783 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4007 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5230 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6455 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7679 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8903 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0127 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1351 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2575 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3799 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5023 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6247 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7471 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8693 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9918 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1142 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2366 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4813 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3962 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.2834 -0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -28.8692 -1.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.8641 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.3658 -2.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.5307 -0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.3984 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.2627 -0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.1305 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 1 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 3 2 0 0 0 33 35 1 6 0 0 7 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 6 39 1 0 0 0 0 M END > LMPK03000101 > Chatenaytrienin-4 > (2S)-4-[(13Z,17Z,21Z)-dotriaconta-13,17,21-trienyl]-2-methyl-2H-furan-5-one > C37H64O2 > 540.49 > Polyketides [PK] > Annonaceae acetogenins [PK03] > > - > > BOWRZSGIKPRYCT-YYYDTODKSA-N > InChI=1S/C37H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h12-13,16-17,20-21,34-35H,3-11,14-15,18-19,22-33H2,1-2H3/b13-12-,17-16-,21-20-/t35-/m0/s1 > C1(O[C@@H](C)C=C1CCCCCCCCCCCC/C=C\CC/C=C\CC/C=C\CCCCCCCCCC)=O > - > - > - > - > - > - > 101949816 > - > - > - > - > - > 13337 > - $$$$