HMDB0013448 RDKit 3D PC(O-22:0/20:4(8Z,11Z,14Z,17Z)) 153152 0 0 0 0 0 0 0 0999 V2000 1.3802 -7.6581 -2.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 -6.7255 -2.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9721 -6.3027 -0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -7.4049 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1234 -8.1758 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 -7.2862 0.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8277 -7.3767 1.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5868 -8.4144 2.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0829 -8.2104 4.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6651 -7.1438 4.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5922 -5.8127 4.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 -5.4490 4.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 -4.3873 4.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5847 -3.4463 5.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6744 -2.0721 5.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1095 -1.5447 4.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -2.0676 3.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8797 -1.9350 1.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -0.5513 1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 0.3854 1.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1078 -0.0303 1.2062 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 1.7205 0.9202 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 2.7073 0.7278 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6039 3.5218 -0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1451 4.4997 -0.8103 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3366 4.8149 -1.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 4.5692 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7713 5.0782 -0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 4.3829 -2.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4385 2.8798 -1.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6352 2.7363 -1.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2184 1.4580 -0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6340 0.4312 -1.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7708 -0.4908 -2.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6009 -0.1405 -3.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0821 -1.4761 -3.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -1.2316 -4.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 -0.7649 -3.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4056 -0.5871 -4.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 -0.1926 -3.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0012 -0.0126 -4.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0509 1.0641 -5.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 2.4376 -4.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 3.4650 -5.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5795 4.8514 -5.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 5.9061 -6.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 5.9615 -6.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3477 3.6560 1.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6068 4.2252 1.9579 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6956 5.2894 3.2579 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4495 6.7066 2.7661 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 5.2766 3.9541 O 0 0 0 0 0 1 0 0 0 0 0 0 0.5881 4.9157 4.4769 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2951 5.9580 4.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3132 5.7606 5.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1772 4.6346 5.5521 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.5418 3.3690 5.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8692 4.6016 4.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2273 4.7861 6.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4446 -7.5214 -4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5681 -8.7227 -2.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -7.3116 -2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3647 -5.7886 -2.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4153 -7.1074 -2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9809 -5.8007 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -5.5297 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5515 -6.9588 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 -8.1184 -0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9093 -9.0808 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4222 -8.5090 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4322 -6.4448 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6294 -6.5953 2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6297 -8.9487 2.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0244 -9.3039 2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0494 -9.1519 4.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3061 -7.1543 5.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 -5.7111 3.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2501 -5.1051 4.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3946 -6.0833 3.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6114 -4.1920 4.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5745 -3.8772 5.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1679 -3.3578 6.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -1.4214 5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 -0.4416 3.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 -3.0694 3.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -1.3947 3.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7119 -2.6423 1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -2.2898 0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 -0.0801 1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 -0.5785 0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 2.2550 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 3.9094 -0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8464 2.7843 -1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 4.4261 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3931 5.9581 -1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3081 5.2335 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 3.5495 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 5.1879 -0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5088 6.1438 -1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1298 4.7958 -2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 4.4943 -2.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7191 2.5819 -2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5476 2.3389 -1.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5203 3.4106 -0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5110 3.3335 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6017 0.9894 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1759 1.7138 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4646 -0.2353 -1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2995 0.9545 -2.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4609 -1.3684 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4621 -1.0981 -2.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8974 0.4886 -3.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7546 0.2200 -2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8492 -2.0910 -2.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8742 -1.9505 -4.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 -0.4612 -5.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5228 -2.2158 -4.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8956 0.1432 -3.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 -1.5818 -2.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1647 -1.5498 -4.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5465 0.2321 -5.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8162 -1.0023 -2.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 0.7795 -2.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 -0.9767 -4.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8037 0.1486 -3.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0611 1.1241 -5.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 0.8951 -5.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4769 2.6769 -3.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 2.4406 -4.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 3.4306 -6.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0574 3.2776 -6.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5466 4.9137 -4.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2653 5.1125 -4.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4814 6.8906 -5.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 5.7703 -6.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4952 6.9782 -6.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 5.2311 -6.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 5.6742 -7.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 4.4560 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1965 3.0637 2.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 6.8614 4.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 6.1900 3.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7571 5.6507 6.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9528 6.6851 5.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6199 3.4681 6.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 2.6971 6.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3195 2.8163 4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2523 4.0875 3.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7959 3.9769 4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 5.5928 3.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 5.8671 6.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 4.1948 6.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 4.4393 7.5473 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 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 6 24 92 1 0 24 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 57145 1 0 57146 1 0 57147 1 0 58148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 59153 1 0 M CHG 2 52 -1 56 1 M END