HMDB0266997 RDKit 3D PA(a-15:0/20:3(6,8,11)-OH(5)) 117116 0 0 0 0 0 0 0 0999 V2000 12.0441 2.2409 -5.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9990 2.9600 -4.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0875 2.2077 -3.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5671 0.7943 -3.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5578 0.1332 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9955 -1.2428 -2.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2626 -2.1720 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1019 -1.8003 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 -0.7454 0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3849 0.0294 0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6513 1.0476 0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1493 0.8462 0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4882 0.6241 1.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 0.4168 1.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 0.1893 3.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -0.0345 3.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8956 -0.8994 4.5398 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1717 -0.4357 2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4739 -1.7041 1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5194 -2.9018 2.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3047 -3.1695 3.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2933 -4.2067 4.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8508 -2.4036 3.2574 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9155 -2.7998 4.0756 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2182 -2.9751 3.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7704 -1.8700 2.8307 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3897 -1.1306 1.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3776 -1.4534 1.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 0.0230 1.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8584 0.5146 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6378 1.7058 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 1.6903 -0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8841 0.8281 -1.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7124 -0.6217 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5750 -1.4614 -2.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0020 -1.5099 -1.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8831 -0.3372 -1.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9865 0.4055 -3.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9321 1.5754 -2.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4321 2.5401 -1.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1153 2.2996 -4.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6904 1.4085 -5.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 -1.8128 5.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1577 -0.5081 4.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1961 0.5522 6.1744 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8634 1.2265 6.3608 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -0.3135 7.5672 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3671 1.7290 5.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6801 2.8626 -6.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0579 2.1959 -6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4512 1.2352 -5.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0126 2.9694 -3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6675 4.0111 -4.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0317 2.2160 -3.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0234 2.7903 -2.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5821 0.7623 -2.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4172 0.2434 -4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5923 0.2504 -2.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5847 0.8238 -1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2134 -1.7373 -3.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0573 -1.1767 -1.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8873 -3.1377 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3075 -2.5518 -1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8156 -2.7305 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1463 -1.6004 0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -0.5627 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1964 -0.0989 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8134 2.0827 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9884 1.0918 1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 0.8869 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0857 0.5959 2.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4295 0.4568 1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1555 0.1686 3.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 0.9482 3.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4711 -0.5971 5.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1774 0.3711 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1157 -0.3872 2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -1.6420 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -1.8673 0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 -3.8016 1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 -2.8394 3.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 -3.7805 4.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -3.4131 4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0947 -3.8281 2.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2739 -0.2759 1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 0.8374 2.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7797 0.9199 0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6985 -0.2844 -0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2386 2.6370 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2943 1.9313 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5413 1.6558 0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4102 2.7640 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9511 1.1361 -1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6610 1.2259 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6556 -0.8611 -1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7433 -0.9614 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2080 -2.5495 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4210 -1.1963 -3.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5093 -2.3714 -2.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0676 -1.9409 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9561 -0.8039 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8704 0.3142 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9833 0.7397 -3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4038 -0.2942 -3.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9516 1.1940 -2.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3784 2.7739 -2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6545 2.1712 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9911 3.5112 -2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7531 3.2179 -4.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1235 2.6733 -4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5856 1.8936 -5.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0346 0.4685 -4.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9446 1.2009 -6.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -1.8820 5.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7981 -2.0711 5.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0779 -1.1131 7.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 2.6504 5.9492 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 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 39 41 1 0 41 42 1 0 24 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 24 82 1 1 25 83 1 0 25 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 40106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 47116 1 0 48117 1 0 M END