LMPK04000013 LIPID_MAPS_STRUCTURE_DATABASE 52 54 0 0 0 999 V2000 10.8422 12.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9769 11.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9584 11.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8255 13.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9769 10.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1992 12.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9242 12.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 13.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7076 12.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7160 13.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5035 9.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1532 10.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4426 11.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4342 13.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6499 14.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6490 9.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 10.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1324 9.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4669 11.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9326 10.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4627 13.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0813 15.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3775 14.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6490 8.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5354 9.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3672 11.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6689 10.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9727 12.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9811 10.4085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9727 13.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2119 15.1954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5354 7.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4258 9.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 12.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9553 9.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9050 10.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3882 14.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1825 16.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4258 8.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5270 6.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4133 7.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3121 9.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 13.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3840 13.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 15.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3121 7.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3507 6.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6324 12.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 14.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7116 10.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2034 13.3099 0.0000 O 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 7 3 1 6 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 16 11 1 6 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 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 29 35 1 0 0 0 0 29 36 1 0 0 0 0 31 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 32 40 1 6 0 0 0 32 41 1 1 0 0 0 33 42 1 1 0 0 0 34 43 1 0 0 0 0 34 44 1 6 0 0 0 37 45 1 0 0 0 0 37 46 1 1 0 0 0 39 47 1 6 0 0 0 40 48 1 0 0 0 0 43 49 1 6 0 0 0 43 50 1 1 0 0 0 44 51 1 0 0 0 0 45 52 1 1 0 0 0 21 28 1 0 0 0 0 33 39 1 0 0 0 0 43 45 1 0 0 0 0 M END > LMPK04000013 > Azithromycin > > C38H72N2O12 > 748.51 > Polyketides [PK] > Macrolides and lactone polyketides [PK04] > > - > 9-deoxy-9alpha-aza-9alpha-methyl-9alpa-homoerythromycin A > MQTOSJVFKKJCRP-BICOPXKESA-N > InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 > [C@@H]1([C@@](O)(C)C[C@@H](C)CN(C)[C@H](C)[C@H]([C@@](O)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H]([C@H](O)[C@](C)(OC)C2)C)[C@@H]1C)O)O[C@@H]1O[C@@H](C[C@H](N(C)C)[C@H]1O)C > C06838 > HMDB01916 > 2955 > - > - > - > 447043 > - > - > - > - > - > 32630 > 1662624 $$$$