LMPK04000014 LIPID_MAPS_STRUCTURE_DATABASE 52 54 0 0 0 0 0 0 0 0999 V2000 9.0860 10.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 11.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 10.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0120 10.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 11.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6946 11.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8450 11.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 9.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8924 10.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9824 10.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 12.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4365 12.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 8.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6911 8.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3926 9.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3756 11.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6911 12.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 12.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4313 7.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9903 9.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6911 8.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1962 9.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9995 9.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1825 11.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9903 12.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6911 13.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4313 7.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1322 8.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9903 10.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3646 8.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5893 10.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6098 9.1040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5790 11.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9903 11.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2929 12.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1322 6.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8262 7.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2929 10.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1671 8.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4132 9.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2929 11.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6911 11.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8262 7.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1322 5.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9869 6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5271 8.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5954 10.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5271 6.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7818 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6159 9.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 6 0 0 0 2 5 1 0 0 0 0 2 6 1 1 0 0 0 2 7 1 6 0 0 0 3 8 1 0 0 0 0 3 9 1 6 0 0 0 10 4 1 6 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 8 13 1 6 0 0 0 8 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 6 0 0 0 19 13 1 6 0 0 0 14 20 1 0 0 0 0 14 21 1 1 0 0 0 15 22 1 0 0 0 0 15 23 1 1 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 2 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 2 0 0 0 0 22 31 1 0 0 0 0 22 32 1 6 0 0 0 24 33 1 6 0 0 0 25 34 1 0 0 0 0 25 35 1 1 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 29 38 1 0 0 0 0 32 39 1 0 0 0 0 32 40 1 0 0 0 0 34 41 1 0 0 0 0 34 42 1 1 0 0 0 36 43 1 0 0 0 0 36 44 1 6 0 0 0 36 45 1 0 0 0 0 37 46 1 1 0 0 0 38 47 1 6 0 0 0 41 48 1 6 0 0 0 41 49 1 1 0 0 0 43 50 1 6 0 0 0 44 51 1 0 0 0 0 47 52 1 0 0 0 0 24 31 1 0 0 0 0 37 43 1 0 0 0 0 38 41 1 0 0 0 0 M END > LMPK04000014 > Clarithromycin > > C38H69NO13 > 747.48 > Polyketides [PK] > Macrolides and lactone polyketides [PK04] > > - > > AGOYDEPGAOXOCK-KCBOHYOISA-N > InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 > [C@@H]1(O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C)[C@@H](C)[C@@H]([C@@H](C)C(=O)O[C@@H]([C@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]1(C)OC)CC)O[C@@H]1O[C@H]([C@H](O)[C@](C)(OC)C1)C > C06912 > HMDB0015342 > 3732 > - > 19455 > - > 84029 > - > - > - > - > - > - > - $$$$