LMFA08020393 LIPID_MAPS_STRUCTURE_DATABASE 55 56 0 0 0 999 V2000 5.7359 -5.2191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6737 -4.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5412 -5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4089 -4.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4089 -3.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2767 -3.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1441 -3.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1441 -4.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2767 -5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0119 -3.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0118 -5.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 -6.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0003 -6.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9715 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5143 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3858 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1287 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0002 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 -3.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.2533 -6.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.1711 -5.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3089 -4.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3160 -3.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4540 -3.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5792 -3.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5721 -4.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.9400 -4.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.4398 -5.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.1853 -3.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.4610 -2.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.7172 -3.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.7781 -5.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2002 -3.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8429 -6.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.9147 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0432 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1718 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3003 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4290 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5575 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6861 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8146 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9431 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0717 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2002 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3288 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4573 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5859 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7144 -4.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8429 -5.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 4 2 0 0 0 7 10 1 0 0 0 8 11 1 0 0 0 1 2 1 0 0 0 13 12 1 0 0 0 22 13 1 1 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 2 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 2 0 0 0 0 1 24 1 0 0 0 0 31 37 1 6 0 0 26 25 2 0 0 0 28 34 1 1 0 0 29 35 1 6 0 0 30 36 1 1 0 0 27 26 1 6 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 33 31 1 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 40 37 1 0 0 0 50 38 2 0 0 0 55 39 2 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 14 55 1 0 0 0 0 M END > LMFA08020393 > Toporoside D > N-((26-O-beta-D-glucuronopyranosyl)-11,16-dioxo-2S-methoxy-5Z-hexacosenoyl)-dopamine > C41H65NO13 > 779.45 > Fatty Acyls [FA] > Fatty amides [FA08] > N-acyl amines [FA0802] > - > > YSZAKTQPCMCZHC-GXKJQEETSA-N > InChI=1S/C41H65NO13/c1-53-34(39(50)42-26-25-29-23-24-32(45)33(46)28-29)22-14-10-6-5-9-13-19-31(44)21-16-15-20-30(43)18-12-8-4-2-3-7-11-17-27-54-41-37(49)35(47)36(48)38(55-41)40(51)52/h6,10,23-24,28,34-38,41,45-49H,2-5,7-9,11-22,25-27H2,1H3,(H,42,50)(H,51,52)/b10-6-/t34-,35-,36-,37+,38-,41+/m0/s1 > N(C(=O)[C@H](CC/C=C\CCCCC(CCCCC(CCCCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(O)=O)=O)=O)OC)CCC1=CC(O)=C(O)C=C1 > - > - > - > - > - > - > 168272147 > - > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Oxo fatty acids [FA0106]; Methoxy fatty acids [FA0108]; Unsaturated fatty acids [FA0103] > -; -; - > 118318 > 35377646 $$$$