LMPK05000005 LIPID_MAPS_STRUCTURE_DATABASE 50 53 0 0 0 0 0 0 0 0999 V2000 9.8782 6.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1838 7.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1803 7.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5754 7.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4907 6.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4915 5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7841 7.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0931 8.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7862 7.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4860 8.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0997 9.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7994 9.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5068 10.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8075 10.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1937 10.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1847 9.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8902 10.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5734 10.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9421 9.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9520 10.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2677 10.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2478 8.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8665 8.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5449 7.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2335 8.1911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0609 5.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3953 7.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3933 7.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6954 6.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6899 5.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0758 5.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0814 6.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0707 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6325 8.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6969 8.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3939 8.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5109 11.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8993 11.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4074 9.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1129 10.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 9.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0094 9.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7035 10.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8726 9.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 9.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0957 9.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8747 5.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5586 9.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7809 8.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 10 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 22 1 0 0 0 0 12 11 1 0 0 0 0 6 26 2 0 0 0 0 11 8 1 0 0 0 0 28 27 1 0 0 0 0 23 2 1 0 0 0 0 5 3 1 0 0 0 0 15 13 1 0 0 0 0 13 14 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 30 31 1 0 0 0 0 31 6 1 0 0 0 0 14 12 1 0 0 0 0 31 33 1 6 0 0 0 5 7 2 0 0 0 0 19 34 1 0 0 0 0 6 5 1 0 0 0 0 27 35 1 6 0 0 0 2 10 1 0 0 0 0 35 36 1 0 0 0 0 15 16 1 6 0 0 0 8 37 1 6 0 0 0 14 41 1 6 0 0 0 18 17 1 0 0 0 0 13 38 1 6 0 0 0 17 15 1 0 0 0 0 17 39 1 1 0 0 0 32 7 1 0 0 0 0 11 40 1 1 0 0 0 7 9 1 0 0 0 0 8 27 1 0 0 0 0 40 42 1 0 0 0 0 2 3 2 0 0 0 0 42 43 1 0 0 0 0 22 19 1 0 0 0 0 42 44 2 0 0 0 0 19 20 2 0 0 0 0 23 45 1 0 0 0 0 20 21 1 0 0 0 0 10 46 1 0 0 0 0 21 18 2 0 0 0 0 12 47 1 1 0 0 0 3 1 1 0 0 0 0 1 48 1 0 0 0 0 1 4 2 0 0 0 0 22 49 2 0 0 0 0 4 24 1 0 0 0 0 9 50 1 0 0 0 0 M END > LMPK05000005 > Rifamycin > > C37H47NO12 > 697.31 > Polyketides [PK] > Ansamycins and related polyketides [PK05] > > - > > HJYYPODYNSCCOU-ODRIEIDWSA-N > InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1 > C1(=CC2NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]([C@@H](OC)C=CO[C@]3(C)C(C4=C(C(C)=C(O)C(=C41)C=2O)O3)=O)C)C)O > C12044 > - > 29673 > - > - > - > 6324616 > - > - > - > - > - > - > - $$$$