157003282 CDK 0404242200 45 45 0 0 0 0 0 0 0 0999 V2000 18.9770 -2.3869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3265 -0.6800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8744 2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6162 -2.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0577 -0.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4339 -2.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8754 -0.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9923 -3.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2070 -0.9349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8744 -0.4499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4619 -1.7195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5418 -0.9349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2869 -1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4223 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8744 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8093 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0246 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5888 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4116 -1.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5888 1.6125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6269 -1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3033 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3033 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0139 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0178 3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2292 -1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0178 4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7322 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8316 -1.8683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6277 -3.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8431 -3.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2408 -3.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 -3.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0254 -3.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4454 -3.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2185 -2.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6385 -2.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8323 -4.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6600 -1.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4231 -3.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0477 -3.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0362 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4346 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8208 -2.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 12 2 1 6 0 0 0 20 3 1 1 0 0 0 4 26 1 0 0 0 0 29 4 1 6 0 0 0 5 26 2 0 0 0 0 6 36 1 0 0 0 0 6 44 1 0 0 0 0 7 39 1 0 0 0 0 8 44 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 6 0 0 0 10 12 1 0 0 0 0 10 15 1 1 0 0 0 11 13 1 0 0 0 0 12 13 1 0 0 0 0 14 16 1 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 29 36 1 0 0 0 0 29 39 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 37 40 1 0 0 0 0 38 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 M END > CHEBI:230428 > DG(14:0/PGF1alpha/0:0) > 2 > [(2S)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-hydroxypropyl] tetradecanoate > C37H68O8 > 640.943 > 640.49142 > 0 > O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)CCCCCCC(O[C@H](COC(=O)CCCCCCCCCCCCC)CO)=O > InChI=1S/C37H68O8/c1-3-5-7-8-9-10-11-12-13-14-19-23-36(42)44-29-31(28-38)45-37(43)24-20-16-15-18-22-32-33(35(41)27-34(32)40)26-25-30(39)21-17-6-4-2/h25-26,30-35,38-41H,3-24,27-29H2,1-2H3/b26-25+/t30-,31-,32+,33+,34-,35+/m0/s1 > GQRBXTUGEIZXNC-SZOVQTRSSA-N $$$$