LMPK04000009 LIPID_MAPS_STRUCTURE_DATABASE 50 52 0 0 0 0 0 0 0 0999 V2000 8.6670 9.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9309 9.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3825 9.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6670 10.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9309 8.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3357 9.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 9.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9309 10.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3791 10.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7908 11.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 7.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 7.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 10.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9309 11.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0626 7.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 8.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 6.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3501 8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0533 8.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3501 10.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 11.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6670 11.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0592 6.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7540 7.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 9.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 7.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7629 9.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0210 8.1198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7629 10.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 11.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 12.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7437 5.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4489 7.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7396 9.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6607 8.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7021 7.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 10.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7396 11.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 6.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2528 5.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2518 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1301 7.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7396 10.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0069 9.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2016 10.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1265 5.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 10.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7705 11.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 6 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 6 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 6 0 0 0 4 10 1 1 0 0 0 5 11 1 6 0 0 0 5 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 1 0 0 0 13 19 1 0 0 0 0 13 20 1 1 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 6 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 2 0 0 0 0 19 28 1 0 0 0 0 19 29 1 6 0 0 0 21 30 1 6 0 0 0 22 31 1 0 0 0 0 22 32 2 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 26 35 1 0 0 0 0 29 36 1 0 0 0 0 29 37 1 0 0 0 0 31 38 1 0 0 0 0 31 39 1 1 0 0 0 33 40 1 0 0 0 0 33 41 1 1 0 0 0 33 42 1 6 0 0 0 34 43 1 1 0 0 0 35 44 1 0 0 0 0 35 45 1 6 0 0 0 38 46 1 1 0 0 0 40 47 1 6 0 0 0 44 48 1 6 0 0 0 44 49 1 1 0 0 0 45 50 1 0 0 0 0 21 28 1 0 0 0 0 34 40 1 0 0 0 0 38 44 1 0 0 0 0 M END > LMPK04000009 > Erythromycin C > > C36H65NO13 > 719.45 > Polyketides [PK] > Macrolides and lactone polyketides [PK04] > > - > > MWFRKHPRXPSWNT-FAIBCODDSA-N > InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25?,27-,28+,29-,30+,31-,33?,34-,35-,36-/m1/s1 > [C@@H]1([C@@](O)(C)C[C@@H](C)C(=O)[C@H](C)[C@H]([C@@](O)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC2O[C@H]([C@H](O)[C@@](O)(C)C2)C)[C@@H]1C)O)OC1O[C@@H](C[C@H](N(C)C)[C@H]1O)C > C06616 > - > - > - > - > - > 441095 > - > - > - > - > - > - > - $$$$