HMDB0301639 RDKit 3D (4Z,7S,8E)-7-hydroxy-9-[(1S,2R,5S)-5-hydroxy-2-[(2Z,5Z)-octa-2,5-dien-1-yl]-3... 140143 0 0 0 0 0 0 0 0999 V2000 19.7605 0.0825 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9508 -0.0479 1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5526 -0.4206 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0285 -1.5566 1.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6412 -1.9242 1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0961 -0.8865 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0152 -0.1408 0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1482 -0.2563 1.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7234 -0.6447 1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7213 -1.9674 0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 -3.0602 0.9353 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4199 -1.6632 -0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4357 -0.4867 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3951 0.2626 -2.0242 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0425 0.3486 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0146 1.1458 0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7545 1.1979 0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7604 2.0483 1.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4435 2.9643 2.1569 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7970 1.1902 2.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8178 1.9805 2.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5122 1.8889 2.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7894 1.0028 1.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8779 1.7997 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6181 2.7902 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6368 3.2343 0.7902 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4009 3.4338 -1.4393 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 2.5928 -2.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 1.3120 -3.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0922 0.2674 -2.0929 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 -0.3272 -1.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8152 0.0901 -2.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5012 -1.3709 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4795 -2.3131 -1.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7445 -1.7373 -1.8056 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -1.0836 -1.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6587 -0.8786 0.2091 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9339 -0.5956 -1.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6668 -0.6088 -3.1356 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0453 -1.5484 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7584 -2.9773 -1.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -1.1128 -2.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 -1.2775 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -0.0145 -0.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2283 0.2316 1.2263 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.8674 1.5868 1.8409 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8828 -0.9645 2.3426 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8921 0.2942 0.8301 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5581 -1.2386 0.7700 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.2473 -1.9854 2.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8616 -2.0681 -0.5612 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2104 -1.2102 0.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7321 0.0015 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2455 -0.1469 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8233 -0.5130 1.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8369 0.3459 1.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1159 -0.2564 1.0465 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.3791 -1.2684 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7109 -1.5457 0.2021 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.2986 -0.6974 1.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6351 -0.5542 1.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6663 -1.3611 0.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.8771 0.4302 2.3297 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.8886 1.2017 2.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5967 1.0624 2.4731 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.3114 0.1016 1.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6324 1.6375 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9620 2.5997 1.3133 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8234 1.1369 -0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7621 0.9615 -1.6404 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4804 1.9594 -2.9564 P 0 0 0 0 0 5 0 0 0 0 0 0 -12.0085 2.1938 -3.2247 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1654 3.4745 -2.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2724 1.3512 -4.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4713 -0.7775 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1225 -0.0162 -0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2902 1.0498 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8409 0.9293 1.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3375 -0.7894 2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9958 0.2362 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5913 -2.2425 2.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6523 -2.8999 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0779 -2.0543 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6601 -0.7041 -0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7429 0.6204 -0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4802 -0.9884 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1354 0.7536 2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1607 -0.7417 2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3306 -1.3552 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9675 -2.5149 -1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4580 -0.9042 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1323 0.9473 -2.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 1.0189 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3712 1.7466 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3571 0.6487 -0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2256 2.6419 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6852 2.5106 2.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3546 0.5471 2.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.4740 1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1702 2.7222 3.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 2.5485 3.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0903 0.3638 2.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 0.2994 1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 2.3418 1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 1.1752 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 2.3037 -2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 3.2406 -3.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2369 1.5766 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7433 0.9834 -4.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9341 -0.0295 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0887 -0.9029 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -1.9502 -0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -2.8699 -2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 -3.1499 -0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0215 -1.7676 -2.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1566 0.4178 -1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7476 0.3270 -3.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7315 -3.1565 -2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8109 -3.5307 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4994 -3.4366 -2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5859 -0.9600 -3.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8656 -1.9206 -2.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5499 -0.1684 -2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3562 -2.0852 0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9246 -1.1599 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4601 -0.9374 3.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2155 -3.0096 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1888 0.3064 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6109 0.7060 0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3960 -0.9932 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7397 0.5846 2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6503 -1.8003 -0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.4781 -0.9265 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6200 -2.3839 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1717 1.9745 3.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6159 2.0456 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7543 2.3243 2.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0715 1.9082 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5808 3.8528 -3.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0695 0.8150 -4.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 3 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 2 3 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 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 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 61 62 1 0 61 63 1 0 63 64 2 0 64 65 1 0 65 66 2 0 56 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 70 71 1 0 71 72 2 0 71 73 1 0 71 74 1 0 15 9 1 0 69 54 1 0 66 57 1 0 66 60 1 0 1 75 1 0 1 76 1 0 1 77 1 0 2 78 1 0 2 79 1 0 3 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 18 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 21100 1 0 22101 1 0 23102 1 0 23103 1 0 24104 1 0 24105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 38116 1 0 39117 1 0 41118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 47126 1 0 51127 1 0 53128 1 0 53129 1 0 54130 1 0 56131 1 0 58132 1 0 62133 1 0 62134 1 0 64135 1 0 67136 1 0 68137 1 0 69138 1 0 73139 1 0 74140 1 0 M END