HMDB0289283 RDKit 3D PC(DiMe(9,3)/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 134134 0 0 0 0 0 0 0 0999 V2000 2.0229 -2.9232 -1.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5021 -3.9592 -0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4731 -4.9617 -0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -6.2699 -0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -6.9347 -1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 -7.8835 -2.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 -7.7557 -3.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0199 -6.6149 -3.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 -6.2487 -5.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 -5.2562 -5.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 -4.1199 -5.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4018 -3.9918 -6.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 -4.1562 -5.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 -4.5262 -4.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6721 -4.6532 -4.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4596 -5.0024 -3.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5619 -4.1061 -3.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8305 -4.9197 -1.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8288 -5.3247 -0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3434 -5.2607 0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 -3.9240 1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9339 -2.9295 0.4008 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -3.7050 2.4697 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2144 -2.4258 2.9160 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1222 -2.3762 3.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4145 -1.0695 3.9879 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -0.0213 3.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4096 -0.2547 1.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8519 1.3769 3.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8073 2.3240 2.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5459 2.4092 1.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 3.3315 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3671 2.8230 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 3.6875 -1.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3056 3.1481 -2.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 3.9195 -4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 5.3483 -3.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8465 6.3617 -3.9694 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 7.5117 -3.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 8.8030 -3.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5182 9.3600 -2.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7293 9.6219 -1.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8305 7.2021 -3.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 8.1722 -3.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9551 5.8150 -3.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2284 5.0812 -3.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2331 -1.8237 3.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 -2.5900 5.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5907 -1.8639 6.0144 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8748 -1.1540 7.1436 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6018 -3.0864 6.5934 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.4819 -0.7453 5.1012 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4955 0.4683 5.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2526 1.5332 5.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6307 1.2396 4.7813 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.4895 2.3242 5.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1091 0.0265 5.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8874 1.1591 3.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9994 -3.1386 -2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 -1.9410 -1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 -2.7930 -2.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 -3.4003 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 -4.3476 -1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5003 -4.5623 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5998 -6.8386 -0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5733 -6.2585 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0506 -7.5772 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -8.8146 -2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0779 -8.5556 -4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 -6.7997 -3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7711 -5.6824 -3.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4172 -6.9873 -5.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 -5.1577 -6.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2425 -3.2474 -5.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2237 -4.4768 -4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -3.7052 -7.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5469 -4.0019 -6.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2507 -4.7121 -3.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2258 -4.4437 -5.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9509 -6.0242 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 -4.5511 -2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 -5.7098 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3752 -3.9733 -1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -4.6718 -0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1927 -6.3653 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4553 -5.9511 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1198 -5.6470 1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -1.7626 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2452 -3.1217 4.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8892 -2.6622 2.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1031 1.6508 4.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 1.4189 3.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4981 1.9024 1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 3.3364 2.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9512 1.4454 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 2.8569 2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5999 3.3588 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 4.3656 0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4335 2.9066 -0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1951 1.7589 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6838 3.6379 -2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5439 4.7432 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 2.1021 -3.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3484 3.1619 -2.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2986 3.8821 -4.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0236 3.4295 -4.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 9.5551 -4.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1487 8.7344 -4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 10.3203 -2.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1411 8.6282 -1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 8.6799 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4576 10.2462 -2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3736 10.1485 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6614 9.1644 -3.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7922 7.7670 -4.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2256 8.1791 -2.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 5.6852 -4.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1398 4.1743 -4.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 4.7434 -2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -0.8565 4.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 -1.5583 3.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4234 0.8173 5.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8258 0.3494 6.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 1.7132 4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1734 2.4886 5.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5029 1.8989 5.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1399 2.6473 6.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5057 3.1567 4.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7933 -0.0418 6.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2336 0.1136 5.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8665 -0.8751 4.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 2.1361 2.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3133 0.3540 2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9694 0.9073 3.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 39 43 2 0 43 44 1 0 43 45 1 0 45 46 1 0 24 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 45 37 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 6 25 89 1 0 25 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 42113 1 0 44114 1 0 44115 1 0 44116 1 0 46117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 56126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 M CHG 2 51 -1 55 1 M END