LMPK04000042 LIPID_MAPS_STRUCTURE_DATABASE 57 60 0 0 0 0 0 0 0 0999 V2000 8.5846 11.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5777 12.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2988 12.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5846 10.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8706 12.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 10.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1599 11.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8706 13.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 9.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0095 11.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1599 10.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4457 12.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5846 9.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0060 9.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4457 10.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5846 8.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8706 9.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8345 9.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4457 9.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7352 11.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 8.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8706 8.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2331 10.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2575 8.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1599 9.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7317 9.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0129 7.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1599 8.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8706 7.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0548 10.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8033 10.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0755 8.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0129 6.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7235 8.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4457 8.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4742 9.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4534 10.8218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9005 8.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7235 6.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4342 7.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0235 11.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2715 10.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4342 6.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7271 5.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1449 8.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1449 6.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0164 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 11.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5146 12.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0781 12.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4382 11.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7177 11.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7166 12.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 11.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8611 6.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5814 6.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8570 7.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 11 1 0 0 0 0 7 12 1 1 0 0 0 9 13 1 0 0 0 0 9 14 1 6 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 6 0 0 0 18 14 1 1 0 0 0 15 19 1 0 0 0 0 15 20 1 6 0 0 0 16 21 1 6 0 0 0 16 22 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 6 0 0 0 27 21 1 6 0 0 0 22 28 1 0 0 0 0 22 29 1 1 0 0 0 23 30 1 0 0 0 0 23 31 1 6 0 0 0 24 32 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 0 0 0 0 28 35 2 0 0 0 0 30 36 1 0 0 0 0 30 37 1 1 0 0 0 32 38 1 1 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 37 41 1 0 0 0 0 37 42 1 0 0 0 0 39 43 1 0 0 0 0 39 44 1 1 0 0 0 40 45 1 1 0 0 0 43 46 1 6 0 0 0 44 47 1 0 0 0 0 2 3 1 0 0 0 0 25 28 1 0 0 0 0 32 36 1 0 0 0 0 40 43 1 0 0 0 0 31 48 1 0 0 0 0 1 2 1 0 0 0 0 48 49 1 0 0 0 0 1 3 1 1 0 0 0 48 50 2 0 0 0 0 1 4 1 0 0 0 0 11 51 1 1 0 0 0 1 5 1 0 0 0 0 51 52 1 0 0 0 0 4 6 1 0 0 0 0 52 53 2 0 0 0 0 5 7 1 0 0 0 0 52 54 1 0 0 0 0 5 8 2 0 0 0 0 46 55 1 0 0 0 0 6 9 1 0 0 0 0 55 56 1 0 0 0 0 6 10 1 6 0 0 0 55 57 2 0 0 0 0 M END > LMPK04000042 > Troleandomycin > > C41H67NO15 > 813.45 > Polyketides [PK] > Macrolides and lactone polyketides [PK04] > > - > > LQCLVBQBTUVCEQ-QTFUVMRISA-N > InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1 > [C@@]12(C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O[C@@H]3O[C@H]([C@H](OC(=O)C)[C@@H](OC)C3)C)[C@H](C)[C@H]([C@@H](C)C1)O[C@@H]1O[C@@H](C[C@H](N(C)C)[C@H]1OC(=O)C)C)OC2 > C12753 > HMDB0015448 > 45735 > - > - > - > 202225 > - > - > - > - > - > - > - $$$$