LMPK03000062 LIPID_MAPS_STRUCTURE_DATABASE 45 47 0 0 0 999 V2000 7.4899 9.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5078 9.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4027 8.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3202 7.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7614 9.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5288 6.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8122 9.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9419 8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0716 9.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2013 8.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3311 9.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4608 8.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5905 9.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7202 8.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8501 9.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9797 8.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2626 9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1327 8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0029 9.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5930 8.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4359 8.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1757 9.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1723 9.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8730 8.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7433 9.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1033 8.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1068 8.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3668 9.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5241 10.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7925 9.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9224 9.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0521 9.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1820 9.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3118 9.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4417 9.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5714 9.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7013 9.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8311 9.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9610 9.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0908 9.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6626 9.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0735 10.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2702 10.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8729 7.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5714 10.9773 0.0000 O 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 0 0 0 2 5 1 1 0 0 4 6 2 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 15 16 1 0 0 0 16 1 2 0 0 0 4 16 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 7 20 1 1 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 7 1 0 0 0 19 24 1 0 0 0 24 25 1 0 0 0 17 21 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 6 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 28 1 0 0 0 30 41 1 0 0 0 25 29 1 1 0 0 40 42 1 1 0 0 17 43 1 1 0 0 24 44 1 6 0 0 21 20 1 6 0 0 36 45 1 6 0 0 M END > LMPK03000062 > Squamostanin-A > > C37H66O8 > 638.48 > Polyketides [PK] > Annonaceae acetogenins [PK03] > - > - > > RWQXMMPWGQDJFK-RPOUVYNESA-N > InChI=1S/C37H66O8/c1-3-4-5-8-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-7-6-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30-,31-,32-,33+,34+,35-,36-/m0/s1 > C1=C(C(=O)O[C@H]1C)CCCCCCCC[C@H]1CC[C@@H](O1)[C@@H](O)CC[C@@H](O)[C@H]1O[C@H]([C@@H](O)CCC[C@H](O)CCCCCCC)CC1 > - > - > - > - > - > - > 171121158 > - > - > - > - > - > 301693 > 19408149 $$$$