HMDB0241800 RDKit 3D (5Z)-7-[(1R,2E)-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoylcar... 79 79 0 0 0 0 0 0 0 0999 V2000 5.8095 3.3837 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1499 3.3713 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4193 1.9286 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3205 1.5178 -0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4577 0.1321 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4705 -0.9554 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5263 -0.8379 0.3949 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1477 -1.0713 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0411 -1.3772 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2987 -2.4483 -0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3671 -3.5482 0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 -3.4667 1.5339 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9107 -4.7476 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 -4.2590 -1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -2.7819 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8606 -2.1752 -1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 -2.6458 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2461 -1.9455 1.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 -0.4880 1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9342 0.1614 1.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9115 -0.2755 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2788 0.2945 0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 1.0116 1.9303 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3379 0.0437 0.1081 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6835 0.6260 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4877 -0.6361 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8869 -0.5562 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8162 -0.7680 0.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3552 -0.2380 2.1647 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.0512 1.4073 -0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2142 2.1946 -0.8494 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.9455 2.4085 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8934 3.5429 -1.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1287 1.6427 -1.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5299 2.3793 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 3.7355 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 4.1081 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1807 4.0155 -0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9852 3.6391 1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4165 1.9079 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 1.3509 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2527 2.2052 -1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3437 1.6207 -0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4051 0.0386 -2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5926 -0.0550 -2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 -1.9501 -1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 -1.1884 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 -1.8460 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 -0.0829 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8296 -0.6590 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8107 -5.3431 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 -5.3609 0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1107 -4.6210 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -4.6884 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -2.4109 -2.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0911 -2.6114 -1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 -1.0943 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3056 -3.7412 0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -2.4283 2.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6659 -0.0368 0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1888 -0.1665 2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2599 -0.1694 2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 1.2452 1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5201 0.0011 -0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0563 -1.3747 0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5181 1.1925 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3731 -1.1876 -0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 -1.3089 1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9843 0.7671 -1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1725 2.1209 -0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1585 3.5276 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4165 2.1992 1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9769 1.9817 0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8773 3.9472 -1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4431 4.1869 -0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2987 3.3793 -2.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1525 1.5267 -1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1134 2.1857 -2.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7766 0.6176 -2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 3 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 25 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 15 10 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 7 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 16 56 1 0 16 57 1 0 17 58 1 0 18 59 1 0 19 60 1 0 19 61 1 0 20 62 1 0 20 63 1 0 21 64 1 0 21 65 1 0 25 66 1 0 26 67 1 0 26 68 1 0 30 69 1 0 30 70 1 0 32 71 1 0 32 72 1 0 32 73 1 0 33 74 1 0 33 75 1 0 33 76 1 0 34 77 1 0 34 78 1 0 34 79 1 0 M CHG 2 29 -1 31 1 M END