LMPK03000025 LIPID_MAPS_STRUCTURE_DATABASE 44 46 0 0 0 999 V2000 24.3156 7.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3150 7.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6240 8.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8153 9.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0069 8.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0214 8.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4894 9.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3549 8.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2203 9.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0857 8.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9514 9.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8169 8.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6823 9.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5478 8.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4133 9.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4894 10.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5301 8.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6489 9.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6715 9.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5669 8.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4800 7.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9287 9.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6876 6.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5300 7.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3961 9.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7544 9.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7530 9.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1732 8.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2793 8.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6640 9.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7978 8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9317 9.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0655 8.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1994 9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3332 8.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4672 9.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6010 8.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7349 9.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8687 8.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0026 9.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1364 8.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6823 10.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1454 9.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0114 8.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 1 0 0 5 4 1 6 0 0 5 1 1 0 0 0 6 5 1 0 0 0 3 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 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 7 16 1 1 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 19 22 1 1 0 0 21 23 2 0 0 0 17 24 1 6 0 0 17 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 6 1 0 0 0 6 28 1 6 0 0 25 28 1 1 0 0 15 29 1 0 0 0 17 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 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 18 2 0 0 0 21 41 1 0 0 0 13 42 1 0 0 0 29 43 1 0 0 0 43 44 1 0 0 0 M END > LMPK03000025 > Squamocin-III > > C37H66O7 > 622.48 > Polyketides [PK] > Annonaceae acetogenins [PK03] > - > - > > OSDWDMDHUGWQKW-SWWNTVRDSA-N > InChI=1S/C37H66O7/c1-3-4-13-19-30(38)20-15-12-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-11-9-7-5-6-8-10-14-18-29-27-28(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 > C1[C@H]([C@@H]2O[C@H](CC2)[C@@H](CCCCCCCCCCCC2C(=O)O[C@@H](C)C=2)O)O[C@@H]([C@@H](O)CCCCCC(O)CCCCC)C1 > - > - > - > - > - > - > 171121154 > - > - > - > - > - > 301693 > 26181648 $$$$