LMPK05000001 LIPID_MAPS_STRUCTURE_DATABASE 60 62 0 0 0 0 0 0 0 0999 V2000 8.3533 11.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3533 10.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6535 11.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0567 10.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 11.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0567 9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7499 10.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 10.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2569 11.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3533 9.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5549 8.8233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2569 10.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6535 10.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3533 8.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8152 9.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3670 9.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2569 9.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0567 7.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6535 7.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7577 9.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7816 8.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 9.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 9.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7532 7.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 8.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6535 7.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5630 10.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3364 10.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5833 8.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7532 6.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4498 7.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2569 7.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9741 9.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1153 10.7052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3919 8.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4498 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1463 7.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6941 11.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9172 10.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1463 6.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4532 5.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8428 6.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0582 11.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5475 9.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5516 8.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1590 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1516 5.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3319 11.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6256 11.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6211 12.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9149 13.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0335 11.9094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9105 13.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2131 12.7067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 14.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1997 15.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7557 9.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6526 12.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8277 7.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 11 1 1 0 0 0 12 17 1 0 0 0 0 14 18 1 6 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 6 0 0 0 24 18 1 6 0 0 0 19 25 1 0 0 0 0 19 26 1 1 0 0 0 20 27 1 0 0 0 0 20 28 1 6 0 0 0 21 29 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 2 0 0 0 0 27 33 1 0 0 0 0 27 34 1 1 0 0 0 29 35 1 1 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 34 38 1 0 0 0 0 34 39 1 0 0 0 0 36 40 1 0 0 0 0 36 41 1 6 0 0 0 40 42 1 6 0 0 0 22 25 1 0 0 0 0 29 33 1 0 0 0 0 37 40 1 0 0 0 0 1 43 1 6 0 0 0 1 2 1 0 0 0 0 12 44 1 1 0 0 0 1 3 1 0 0 0 0 12 45 1 6 0 0 0 2 4 1 0 0 0 0 23 46 1 0 0 0 0 3 5 1 0 0 0 0 41 47 1 0 0 0 0 36 48 1 0 0 0 0 4 6 1 0 0 0 0 28 49 1 0 0 0 0 4 7 1 1 0 0 0 49 50 1 0 0 0 0 5 8 1 0 0 0 0 50 51 1 0 0 0 0 5 9 1 1 0 0 0 51 52 1 0 0 0 0 6 10 1 0 0 0 0 49 53 2 0 0 0 0 6 11 1 6 0 0 0 52 54 1 0 0 0 0 8 12 1 0 0 0 0 52 55 2 0 0 0 0 8 13 1 1 0 0 0 54 56 1 0 0 0 0 10 14 1 0 0 0 0 56 57 1 0 0 0 0 10 15 1 6 0 0 0 4 58 1 6 0 0 0 3 59 2 0 0 0 0 37 60 1 1 0 0 0 M END > LMPK05000001 > Erythromycin ethylsuccinate > > C43H75NO16 > 861.51 > Polyketides [PK] > Ansamycins and related polyketides [PK05] > > - > > NSYZCCDSJNWWJL-YXOIYICCSA-N > InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1 > [C@@H]1(C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@H]([C@H](C)[C@@H](O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2OC(=O)CCC(=O)OCC)C)[C@](C)(O)C1)O[C@@H]1O[C@@H](C)[C@H](O)[C@](C)(OC)C1)C > C12796 > - > 31555 > - > - > - > 443953 > - > - > - > - > - > - > - $$$$