LMPK04000017 LIPID_MAPS_STRUCTURE_DATABASE 50 53 0 0 0 999 V2000 9.7006 10.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6970 10.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2002 9.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2052 9.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1918 11.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0515 11.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1952 9.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7047 8.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0642 12.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1982 11.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6908 10.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2044 7.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8761 12.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1608 12.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6900 10.3825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1828 11.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1995 7.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7006 6.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8927 13.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1608 13.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1814 11.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1814 9.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7032 6.9267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6991 8.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7630 14.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 14.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8846 14.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2946 14.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2022 12.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0390 10.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6984 6.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1952 6.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6291 13.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7546 15.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0724 12.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9593 11.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0307 9.7331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.1980 6.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1897 7.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4992 14.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6207 15.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9259 12.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0850 13.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7712 10.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3612 13.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2271 14.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6371 11.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2230 15.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 9.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9260 11.8357 0.0000 H 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 0 0 0 0 1 5 1 1 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 6 0 0 0 6 9 1 0 0 0 0 6 10 1 6 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 6 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 6 0 0 0 20 28 2 0 0 0 0 21 29 2 0 0 0 0 21 30 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 25 33 1 0 0 0 0 25 34 1 6 0 0 0 29 35 1 0 0 0 0 30 36 2 0 0 0 0 30 37 1 0 0 0 0 31 38 1 0 0 0 0 31 39 2 0 0 0 0 33 40 2 0 0 0 0 34 41 1 0 0 0 0 35 42 2 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 40 45 1 0 0 0 0 43 46 1 0 0 0 0 44 47 1 0 0 0 0 46 48 1 0 0 0 0 2 4 1 0 0 0 0 20 26 1 0 0 0 0 36 42 1 0 0 0 0 45 46 2 0 0 0 0 2 49 1 6 0 0 0 9 50 1 6 0 0 0 M END > LMPK04000017 > Maytansine > > C34H46N3O10Cl > 691.29 > Polyketides [PK] > Macrolides and lactone polyketides [PK04] > > - > > WKPWGQKGSOKKOO-RSFHAFMBSA-N > InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1 > [C@@]12(C)O[C@@]1([H])[C@H](C)[C@@]1([H])OC(N[C@@](O)([C@H](OC)C=CC=C(C)CC3=CC(OC)=C(Cl)C(=C3)N(C)C(=O)C[C@@H]2OC(=O)[C@H](C)N(C)C(=O)C)C1)=O > C10606 > - > 6701 > - > 36062 > - > 5281828 > - > - > - > - > - > 123430 > 5062169 $$$$