HMDB0008555 RDKit 3D PC(22:0/P-18:0) 153152 0 0 0 0 0 0 0 0999 V2000 2.0232 -4.1853 3.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3338 -4.1386 1.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -5.1740 0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -5.0692 -0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1066 -6.0641 -1.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4527 -5.9264 -2.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1013 -4.5363 -3.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 -4.5935 -4.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 -3.3894 -5.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1102 -2.8684 -5.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9502 -2.3341 -4.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3434 -1.1219 -4.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2821 -0.6450 -3.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -1.5762 -1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3054 -1.8544 -1.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -0.5291 -0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1992 -0.5069 0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -0.1376 1.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3277 0.1896 2.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -0.1347 3.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2829 0.2650 3.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 -0.3578 2.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -1.7258 2.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5533 -2.4828 3.0893 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8744 -2.2015 1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7254 -1.0085 0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3467 -1.3110 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2614 -0.3143 -1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9309 1.1139 -1.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9474 1.8796 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6733 3.3209 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2771 3.7018 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3683 3.2190 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9195 3.7097 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 5.2094 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6877 5.9547 0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4643 5.9304 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3037 6.2227 -1.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 6.3495 -2.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 6.5523 -3.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3553 5.3456 -4.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 4.1860 -4.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 3.0114 -5.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8589 1.8383 -4.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4568 0.7009 -5.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 0.7243 4.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 0.4332 5.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2275 1.3884 6.8097 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9105 2.5937 6.1699 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8941 2.0098 7.9301 O 0 0 0 0 0 1 0 0 0 0 0 0 1.3835 0.5025 7.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3639 0.0909 6.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 -0.6879 7.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 -1.1548 6.7426 N 0 0 0 0 0 4 0 0 0 0 0 0 4.2620 -0.9531 5.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -0.5588 7.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6407 -2.6021 6.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 -3.2798 3.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 -5.0702 3.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9235 -4.2871 3.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4231 -4.3617 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 -3.1115 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 -6.1998 1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 -5.0884 0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6353 -4.0533 -0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9593 -5.3224 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -6.0025 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 -7.0983 -1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9106 -6.6830 -3.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 -6.0833 -3.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8146 -3.8254 -2.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0789 -4.2825 -3.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6159 -4.7537 -4.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0308 -5.5266 -5.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6816 -3.6113 -6.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 -2.5810 -5.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1167 -2.1219 -6.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -3.7253 -6.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3758 -3.0405 -4.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 -1.8605 -5.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -0.3083 -4.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6717 -1.3424 -3.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 0.4108 -2.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 -0.5113 -3.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0346 -2.4810 -2.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 -0.9997 -1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 -2.2080 -1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5071 -2.6561 -0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7814 0.0236 -0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 0.1047 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -0.7581 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 -0.1187 2.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6567 -1.1778 3.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -0.0788 4.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4136 1.3535 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5589 -3.0159 1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1673 -2.4912 0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 -0.1895 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3686 -0.7506 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8913 -2.3239 -0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5161 -1.5821 -1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5935 -0.6878 -2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2882 -0.3460 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7015 1.5728 -2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9758 1.2478 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0456 1.8074 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3741 1.4284 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9009 3.8179 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4103 3.8548 -0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 3.2536 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 4.8297 -0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3836 2.1153 0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7638 3.5660 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2948 3.2797 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 3.3286 -0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6924 5.5731 1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4075 5.5326 -0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2819 5.6839 1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 7.0781 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0785 4.9862 -0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 6.7313 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1725 7.1966 -1.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2459 5.4502 -2.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 7.2976 -1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 5.5176 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1059 7.3940 -4.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7954 6.8817 -4.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4938 5.6010 -5.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3314 5.0643 -4.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 4.4603 -4.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 3.9340 -3.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 2.6809 -5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0788 3.2846 -6.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 1.5113 -3.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8916 2.1294 -5.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0956 0.6459 -6.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5262 -0.2640 -5.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 0.7945 -6.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 0.5834 4.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 1.7966 4.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8021 0.9388 6.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 -0.6514 6.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8821 -1.5707 8.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7887 -0.0706 8.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3657 -1.5219 4.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2179 0.1140 5.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1777 -1.3509 4.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6728 0.5383 6.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4719 -0.9506 6.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1585 -0.8920 8.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7219 -3.0840 6.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6564 -2.8492 7.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5212 -2.9998 6.3965 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 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 1 0 17 18 2 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 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 20 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 18 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 45138 1 0 46139 1 0 46140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 55145 1 0 55146 1 0 55147 1 0 56148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 57153 1 0 M CHG 2 50 -1 54 1 M END