LMPK04000024 LIPID_MAPS_STRUCTURE_DATABASE 63 69 0 0 0 0 0 0 0 0999 V2000 6.2638 9.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2638 8.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9716 7.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6795 8.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6795 9.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9716 9.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 9.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9716 7.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6801 6.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1702 10.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8723 10.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5749 10.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5753 11.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8731 11.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1705 11.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0501 11.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3421 10.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6335 11.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9251 10.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9251 9.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7579 10.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1715 9.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4681 11.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4612 9.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7588 9.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4567 8.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6355 9.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6354 8.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3409 8.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3364 7.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7517 8.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7472 7.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0423 7.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0366 6.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7359 5.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4408 6.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4465 7.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6335 11.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2165 11.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2170 9.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6267 7.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0314 7.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7302 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1464 5.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0439 8.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2841 11.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2833 10.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2828 9.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9920 10.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7003 10.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6142 6.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0982 10.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0982 9.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 9.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5140 9.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5140 10.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 11.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3904 11.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 8.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 9.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5148 8.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 5.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 30 31 2 0 0 0 0 31 34 1 0 0 0 0 33 32 1 6 0 0 0 11 16 1 1 0 0 0 3 8 1 6 0 0 0 22 17 1 1 0 0 0 17 18 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 3 4 1 0 0 0 0 19 39 1 0 0 0 0 8 10 1 0 0 0 0 20 40 1 6 0 0 0 18 19 2 0 0 0 0 21 41 1 6 0 0 0 19 20 1 0 0 0 0 31 42 1 0 0 0 0 20 21 1 0 0 0 0 34 43 1 6 0 0 0 21 28 1 0 0 0 0 36 44 1 1 0 0 0 4 5 1 0 0 0 0 37 45 1 0 0 0 0 5 6 1 0 0 0 0 32 46 2 0 0 0 0 6 1 1 0 0 0 0 14 47 1 6 0 0 0 22 26 1 0 0 0 0 13 48 1 1 0 0 0 25 23 1 0 0 0 0 48 49 1 0 0 0 0 23 11 1 0 0 0 0 48 50 1 0 0 0 0 11 24 1 0 0 0 0 50 51 1 0 0 0 0 24 22 1 0 0 0 0 42 52 1 0 0 0 0 35 52 1 0 0 0 0 1 7 1 6 0 0 0 1 2 1 0 0 0 0 25 26 1 0 0 0 0 32 27 1 0 0 0 0 25 27 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 11 12 1 6 0 0 0 53 59 1 6 0 0 0 12 13 1 0 0 0 0 55 60 1 6 0 0 0 28 29 2 0 0 0 0 54 61 1 1 0 0 0 29 30 1 0 0 0 0 60 62 1 0 0 0 0 57 40 1 1 0 0 0 13 14 1 0 0 0 0 35 63 1 6 0 0 0 5 61 1 1 0 0 0 M END > LMPK04000024 > Avermectin B1a > > C48H72O14 > 872.49 > Polyketides [PK] > Macrolides and lactone polyketides [PK04] > > - > > RRZXIRBKKLTSOM-VDYLCOMISA-N > InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 > [C@@H]1([C@H](O)[C@H](C[C@H](O[C@@H]2[C@@H](OC)C[C@H](O[C@H]3[C@H](C=CC=C4CO[C@]5([H])[C@H](O)C(C)=C[C@H]([C@]45O)C(O[C@H]4C[C@H](O[C@]5(O[C@@H]([C@@H](C)C=C5)C(CC)C)C4)CC=C3C)=O)C)O[C@H]2C)O1)OC)C > C11983 > - > - > - > - > - > 6858006 > - > - > - > - > - > - > - $$$$