HMDB0286007 RDKit 3D PC(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 133132 0 0 0 0 0 0 0 0999 V2000 4.2802 0.4046 1.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2456 0.4589 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2901 1.3900 -0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 2.7981 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 3.4221 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7317 4.8659 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 4.9183 1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 5.4192 1.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 6.0066 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 5.3134 1.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 3.8791 1.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0557 3.2886 2.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1814 1.8342 1.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4736 1.3021 2.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6761 -0.1491 1.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7206 -0.3190 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -1.4517 -0.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8715 0.7442 -0.5267 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9052 0.8099 -1.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6378 0.4965 -2.6346 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8428 0.9415 -4.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 0.9081 -4.8171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9429 1.4510 -6.3977 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8846 0.4841 -7.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 1.5574 -7.2589 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.6552 2.9873 -6.2745 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 3.8952 -5.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3127 5.2665 -5.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7552 5.9090 -6.7623 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.2659 5.0191 -7.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 6.8063 -6.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 6.7555 -7.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 -0.7832 -2.4702 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0569 -1.0448 -1.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 -0.0148 -1.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6733 -2.3445 -1.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1589 -3.1797 -0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9196 -4.5307 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 -4.2925 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9257 -4.8469 0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4318 -5.7266 1.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3704 -5.4520 3.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6364 -4.4043 3.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0901 -3.1254 3.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 -1.8909 3.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3095 -1.6059 4.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 -2.5010 4.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 -2.2880 4.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -3.1412 3.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -4.5204 3.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -5.6330 4.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3966 -6.1216 3.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6502 -5.3868 3.6737 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7923 -4.2270 2.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0078 -4.9880 5.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4707 -0.6094 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3043 0.7401 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1163 1.0451 1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2411 0.6635 -0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -0.5696 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 1.4069 -2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3128 1.0432 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9351 3.3988 -0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3871 2.9019 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7671 3.4835 -1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9504 2.8762 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6294 5.3656 -0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8663 5.3765 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 4.4998 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9981 5.4018 2.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 6.1215 0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5104 7.0735 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 5.4332 3.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 5.8735 1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 3.7529 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1281 3.3272 1.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0783 3.3422 3.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 3.8258 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 1.2224 2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1918 1.8115 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4372 1.3389 3.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3525 1.8991 1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6001 -0.5173 2.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 -0.7076 2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7672 0.1759 -2.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 1.8555 -2.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8823 1.2510 -2.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 1.9953 -4.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 0.3686 -4.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4799 3.5273 -4.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 3.8944 -6.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 5.2240 -4.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5012 5.8889 -5.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4649 4.4242 -8.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1284 4.4170 -7.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 5.6874 -8.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6906 7.2332 -5.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 7.5641 -7.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7761 6.1809 -6.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0546 6.1923 -8.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2365 7.3574 -6.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3089 7.4456 -8.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5879 -2.9034 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 -2.1983 -1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2059 -2.6576 0.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -3.4380 -0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 -4.9557 -1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -5.1142 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 -3.6336 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0186 -4.5780 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3684 -6.0377 1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -6.7936 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 -6.3277 3.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -4.5454 5.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 -2.9219 3.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3672 -3.1895 2.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9635 -0.9826 3.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9795 -0.5153 4.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1684 -2.1634 6.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6562 -3.5153 5.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3616 -1.2511 4.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -2.7395 3.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -4.7034 2.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2251 -4.6460 3.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -5.5454 5.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -6.5595 3.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 -6.5911 2.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6134 -7.1468 4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4814 -6.1206 3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7202 -4.3202 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9737 -4.1646 1.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9526 -3.2601 3.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7752 -4.3463 4.9004 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 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 20 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 19 85 1 0 19 86 1 0 20 87 1 1 21 88 1 0 21 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 30 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 6 54130 1 0 54131 1 0 54132 1 0 55133 1 0 M CHG 2 25 -1 29 1 M END