LMPK03000045 LIPID_MAPS_STRUCTURE_DATABASE 44 46 0 0 0 999 V2000 -8.8032 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6833 -0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9164 -0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2063 -0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5588 -0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4344 -0.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3099 -0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1854 -0.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0609 -0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9366 -0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8121 -0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9177 0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9066 0.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4121 0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.7356 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9458 -1.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3178 1.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9165 -1.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3440 -0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5261 -0.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8385 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8494 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9393 -0.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1214 -0.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4338 0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4448 0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7571 -0.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5423 -0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6668 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 -0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9157 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0401 -0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5865 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3221 -1.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4178 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2933 -0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1689 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0349 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9009 -0.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 0.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 2 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 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 11 1 0 0 0 15 16 2 0 0 0 13 17 1 1 0 0 3 18 1 6 0 0 20 21 1 0 0 0 21 22 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 23 1 1 0 0 20 27 1 0 0 0 22 4 1 0 0 0 4 19 1 1 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 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 24 1 0 0 0 24 23 1 6 0 0 20 19 1 6 0 0 37 38 1 6 0 0 28 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 34 44 1 0 0 0 M END > LMPK03000045 > Annosquacin C > > C37H66O7 > 622.48 > Polyketides [PK] > Annonaceae acetogenins [PK03] > - > - > > LYCJUZXESKUUAZ-SWWNTVRDSA-N > InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-13-16-19-30(38)21-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)20-17-14-11-10-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30?,31+,32-,33+,34+,35+,36+/m0/s1 > C([C@@H](O)[C@@H]1O[C@@H]([C@@H]2O[C@@H]([C@@H](O)CCC(O)CCCCCCCCCCC)CC2)CC1)CCCCCCCC1C(=O)O[C@@H](C)C=1 > - > - > - > - > - > - > 171119277 > - > - > - > - > - > 301693 > 22953811 $$$$