LMPK04000018 LIPID_MAPS_STRUCTURE_DATABASE 63 69 0 0 0 0 0 0 0 0999 V2000 16.1702 10.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8723 10.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5749 10.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5753 11.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8731 12.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1705 11.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0501 11.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3421 10.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6335 11.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9251 10.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9251 10.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7579 10.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1715 10.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4682 11.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4612 9.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7588 10.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4567 8.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6355 9.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6354 8.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3409 8.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3364 7.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7517 8.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7472 7.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0423 7.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0366 6.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7359 6.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4408 6.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4465 7.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6335 12.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2165 11.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2170 9.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6267 7.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0314 8.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7302 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1464 6.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0439 8.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2841 12.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2833 10.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2828 9.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9920 10.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6142 6.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0982 10.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0982 10.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 9.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5140 10.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5140 10.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 11.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3904 11.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 8.9060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 9.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5148 8.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8736 12.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 5.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2638 9.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2638 8.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9716 8.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6795 8.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6795 9.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9716 9.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 9.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9716 7.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6801 6.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 30 1 6 0 0 0 1 14 1 0 0 0 0 11 31 1 6 0 0 0 14 12 1 0 0 0 0 21 32 1 0 0 0 0 12 7 1 1 0 0 0 24 33 1 6 0 0 0 7 8 1 0 0 0 0 26 34 1 1 0 0 0 1 2 1 6 0 0 0 27 35 1 0 0 0 0 15 16 1 0 0 0 0 22 36 2 0 0 0 0 22 17 1 0 0 0 0 4 37 1 6 0 0 0 15 17 1 1 0 0 0 3 38 1 1 0 0 0 2 3 1 0 0 0 0 38 39 1 0 0 0 0 3 4 1 0 0 0 0 38 40 1 0 0 0 0 18 19 2 0 0 0 0 32 41 1 0 0 0 0 25 41 1 0 0 0 0 19 20 1 0 0 0 0 4 5 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 20 21 2 0 0 0 0 21 24 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 23 22 1 6 0 0 0 42 48 1 6 0 0 0 10 11 1 0 0 0 0 44 49 1 6 0 0 0 11 18 1 0 0 0 0 43 50 1 1 0 0 0 5 6 1 0 0 0 0 49 51 1 0 0 0 0 46 30 1 1 0 0 0 1 6 1 1 0 0 0 5 52 1 6 0 0 0 25 53 1 6 0 0 0 58 50 1 1 0 0 0 12 16 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 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 59 1 0 0 0 0 59 54 1 0 0 0 0 28 23 1 0 0 0 0 54 60 1 6 0 0 0 15 13 1 0 0 0 0 56 61 1 6 0 0 0 9 29 1 0 0 0 0 55 62 1 1 0 0 0 13 1 1 0 0 0 0 61 63 1 0 0 0 0 M END > LMPK04000018 > Avermectin B2b > > C47H72O15 > 876.49 > Polyketides [PK] > Macrolides and lactone polyketides [PK04] > > - > > ZPAKHHSWIYDSBJ-YAGODIQJSA-N > InChI=1S/C47H72O15/c1-23(2)41-27(6)34(48)21-46(62-41)20-32-17-31(61-46)15-14-25(4)42(24(3)12-11-13-30-22-55-44-39(49)26(5)16-33(45(51)58-32)47(30,44)52)59-38-19-36(54-10)43(29(8)57-38)60-37-18-35(53-9)40(50)28(7)56-37/h11-14,16,23-24,27-29,31-44,48-50,52H,15,17-22H2,1-10H3/b12-11+,25-14+,30-13+/t24-,27-,28-,29-,31+,32-,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46-,47+/m0/s1 > [C@]12(C[C@H]3OC([C@@H]4C=C([C@H]([C@@]5([C@]4(C(=CC=C[C@@H]([C@@H](C(C)=CC[C@H](C3)O1)O[C@@H]1O[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC)C3)[C@@H](OC)C1)C)CO5)O)[H])O)C)=O)C[C@H](O)[C@@H]([C@H](O2)C(C)C)C > C11959 > - > 29543 > - > - > - > 11953974 > - > - > - > - > - > - > - $$$$