LMFA08020355 LIPID_MAPS_STRUCTURE_DATABASE 37 38 0 0 0 999 V2000 -4.8244 -18.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3194 -17.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1781 -15.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1781 -16.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4517 -16.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4517 -15.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3149 -15.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3149 -14.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -15.3038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 -15.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8515 -15.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7221 -16.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9867 -15.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8486 -14.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1191 -15.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 -15.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 -15.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -15.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3457 -15.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3294 -19.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8342 -19.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3391 -20.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8439 -21.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3487 -22.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8534 -23.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3584 -24.2216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8532 -23.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8639 -25.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4315 -25.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8253 -26.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8813 -26.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9042 -25.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1071 -24.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4313 -25.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0275 -18.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0442 -17.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 -14.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 16 17 1 0 0 0 0 6 9 1 0 0 0 0 17 18 1 0 0 0 0 3 4 1 0 0 0 0 18 19 1 0 0 0 0 9 10 1 0 0 0 0 1 20 2 0 0 0 0 20 21 1 0 0 0 0 10 11 1 0 0 0 0 21 22 2 0 0 0 0 3 7 1 0 0 0 0 22 23 1 0 0 0 0 10 12 2 0 0 0 0 23 24 2 0 0 0 0 4 2 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 2 5 1 0 0 0 0 25 27 2 0 0 0 0 11 13 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 5 6 2 0 0 0 0 11 14 1 0 0 0 0 6 7 1 0 0 0 0 13 15 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 28 2 0 0 0 0 2 1 1 0 0 0 0 32 33 1 0 0 0 0 15 16 1 0 0 0 0 29 34 2 0 0 0 0 2 35 1 6 0 0 0 4 36 1 6 0 0 0 17 37 1 0 0 0 M END > LMFA08020355 > TMC-1B > (2E)-N-[(3S,4R)-3,4-dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-6-oxocyclohex-1-en-1-yl]-2,6-dimethyloct-2-enamide > C28H36N2O7 > 512.25 > Fatty Acyls [FA] > Fatty amides [FA08] > N-acyl amines [FA0802] > - > > LTZQMADYCMVTKI-UVJPKDHBSA-N > InChI=1S/C28H36N2O7/c1-4-18(2)10-9-11-19(3)27(36)29-20-17-28(37,24(34)16-23(20)33)15-8-6-5-7-12-25(35)30-26-21(31)13-14-22(26)32/h5-8,11-12,15,17-18,24,31,34,37H,4,9-10,13-14,16H2,1-3H3,(H,29,36)(H,30,35)/b6-5+,12-7+,15-8+,19-11+/t18?,24-,28+/m1/s1 > C(/[C@]1(O)C=C(C(C[C@H]1O)=O)NC(=O)/C(/C)=C/CCC(C)CC)=C\C=C\C=C\C(=O)NC1=C(O)CCC1=O > - > - > 66235 > - > - > - > 10481513 > - > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Carbocyclic fatty acids [FA0114] > -; -; -; -; - > 2033434 > 9031666 $$$$