LMPK09000039 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 5.9431 -6.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8357 -5.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8358 -4.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7284 -4.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 -4.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 -5.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7284 -6.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5136 -4.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4062 -4.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4062 -5.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5135 -6.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 -4.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0999 -3.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9644 -4.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6975 -5.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6682 -5.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9599 -3.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9015 -3.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5912 -4.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0759 -4.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0676 -4.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6163 -3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2221 -4.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0355 -3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6470 -3.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9431 -5.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 -3.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8322 -3.3261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 -6.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6467 -6.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4062 -3.8652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 -3.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9128 -3.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9599 -2.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8385 -7.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8604 -7.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3604 -6.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0295 -5.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 -6.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9591 -5.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -7.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0854 -7.1359 0.0000 H 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 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 2 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 6 1 0 0 0 9 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 12 1 0 0 0 14 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 17 1 0 0 0 19 22 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 1 26 1 1 0 0 5 27 1 1 0 0 19 28 1 1 0 0 2 29 1 6 0 0 6 30 1 6 0 0 9 31 1 6 0 0 12 32 1 6 0 0 14 33 1 6 0 0 17 34 1 6 0 0 1 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 1 1 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 39 41 2 0 0 0 37 42 1 6 0 0 M END > LMPK09000039 > Alfredensinol A > > C30H50O6 > 506.36 > Polyketides [PK] > Polyether antibiotics [PK09] > > - > > FGNLERWTWZCDIL-LHRQLGMFSA-N > InChI=1S/C30H50O6/c1-19(2)20-11-15-27(5,33-20)23-13-17-28(6)22(32-23)9-10-24(35-28)29(7)18-14-25(36-29)30(8)16-12-21(34-30)26(3,4)31/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23+,24+,25+,27-,28-,29-,30-/m0/s1 > [C@@]1(O[C@]([H])(C(=C)C)CC1)(C)[C@]1([H])O[C@]2([H])CC[C@]([H])([C@]3(C)CC[C@]([H])([C@]4(C)CC[C@@]([H])(C(O)(C)C)O4)O3)O[C@@]2(C)CC1 > - > - > - > - > - > - > 163108547 > - > - > - > - > - > 1982689 > 28333106 $$$$