LMPK05000004 LIPID_MAPS_STRUCTURE_DATABASE 54 58 0 0 0 0 0 0 0 0999 V2000 10.2909 5.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 6.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8873 6.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2315 6.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4836 5.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1915 8.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1880 7.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5859 7.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4972 6.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4980 6.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7894 7.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0969 8.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7914 8.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4925 8.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 9.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8046 9.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5134 10.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8128 10.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2015 10.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1925 9.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8994 10.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5839 10.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9550 9.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9650 10.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2795 10.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2595 9.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5798 9.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8757 8.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5554 8.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2452 8.4845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0685 5.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3978 8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3958 7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6966 6.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6911 6.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0796 6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0852 6.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0746 5.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6468 9.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6982 8.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3964 8.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 11.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9085 11.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4101 9.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1168 10.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7056 10.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0093 9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 10.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8817 9.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7661 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4852 9.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0996 10.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7862 8.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24 25 1 0 0 0 0 25 22 2 0 0 0 0 5 1 1 0 0 0 0 37 11 1 0 0 0 0 11 13 1 0 0 0 0 12 32 1 0 0 0 0 9 7 1 0 0 0 0 26 27 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 26 1 0 0 0 0 6 14 1 0 0 0 0 10 31 2 0 0 0 0 33 32 1 0 0 0 0 1 2 1 0 0 0 0 13 14 2 0 0 0 0 16 15 1 0 0 0 0 15 12 1 0 0 0 0 2 3 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 35 36 1 0 0 0 0 36 10 1 0 0 0 0 6 7 2 0 0 0 0 36 38 1 6 0 0 0 7 3 1 0 0 0 0 23 39 1 0 0 0 0 19 17 1 0 0 0 0 32 40 1 6 0 0 0 17 18 1 0 0 0 0 40 41 1 0 0 0 0 18 16 1 0 0 0 0 12 42 1 6 0 0 0 18 46 1 6 0 0 0 3 8 1 0 0 0 0 17 43 1 6 0 0 0 8 29 2 0 0 0 0 21 44 1 1 0 0 0 28 6 1 0 0 0 0 15 45 1 1 0 0 0 19 20 1 6 0 0 0 22 21 1 0 0 0 0 45 47 1 0 0 0 0 21 19 1 0 0 0 0 47 48 1 0 0 0 0 3 4 1 0 0 0 0 47 49 2 0 0 0 0 4 5 1 0 0 0 0 28 50 2 0 0 0 0 9 11 2 0 0 0 0 1 51 2 0 0 0 0 10 9 1 0 0 0 0 14 52 1 0 0 0 0 26 23 1 0 0 0 0 16 53 1 1 0 0 0 23 24 2 0 0 0 0 13 54 1 0 0 0 0 M END > LMPK05000004 > Rifamycin O > > C39H47NO14 > 753.30 > Polyketides [PK] > Ansamycins and related polyketides [PK05] > > - > > RAFHKEAPVIWLJC-KQOHHTLASA-N > InChI=1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39?/m0/s1 > C1(=O)OC2(OC1)C=C1NC(C(=CC=C[C@@H]([C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)C=CO[C@]3(C)C(C4=C(C(C)=C(O)C(C1=O)=C42)O3)=O)C)C)=O > C01849 > - > 16324 > - > - > - > 5280468 > - > - > - > - > - > - > - $$$$