HMDB0062336 RDKit 3D N-Oleoyl phenylalanine 74 74 0 0 0 0 0 0 0 0999 V2000 7.8375 2.9172 -2.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9722 2.2091 -1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8149 1.8260 -0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0227 1.1272 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 -0.1450 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6323 -0.7495 1.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -2.0310 0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 -1.9017 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8546 -0.9732 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5857 -1.2572 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0985 -2.6505 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1475 -2.7203 -1.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1422 -2.0231 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1891 -2.4542 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0632 -2.5160 1.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 -1.3345 2.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 -0.2103 2.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 0.4754 0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9419 1.1893 0.2891 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1061 0.5011 0.2395 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3302 -0.1316 0.6076 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3554 0.8513 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7100 1.8834 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7575 1.7203 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0841 2.7143 -1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3562 3.8776 -1.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3058 4.0542 -0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9955 3.0572 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -0.8644 -0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9525 -1.5108 -0.3728 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2863 -0.8401 -1.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3117 3.8289 -2.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7923 3.2436 -2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 2.2166 -3.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4665 1.3891 -2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 2.9196 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 1.1241 -0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2758 2.7371 0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 1.8208 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6944 0.8464 1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2041 -0.8135 -0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7016 0.1435 -0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8992 -0.0008 1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3366 -0.9599 2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 -2.4441 1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7053 -2.7651 0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -2.9106 -0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5394 -1.4875 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1153 0.0863 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 -0.4776 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 -3.3971 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5466 -2.9147 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7044 -2.3041 -2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 -3.8142 -1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6042 -2.0904 -2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9072 -0.9206 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -2.0054 -0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4164 -3.5577 -0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 -3.4253 1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1387 -2.8345 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 -0.8998 2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -1.7103 3.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3089 0.5712 2.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6667 -0.5336 2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1616 2.1822 0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -0.9239 1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2558 0.2253 1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9837 1.2397 2.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3448 0.8193 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9009 2.5829 -2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6105 4.6612 -2.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7351 4.9619 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 3.2252 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9042 -1.7247 -2.1734 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 2 3 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 21 29 1 0 29 30 2 0 29 31 1 0 28 23 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 16 62 1 0 17 63 1 0 17 64 1 0 19 65 1 0 21 66 1 1 22 67 1 0 22 68 1 0 24 69 1 0 25 70 1 0 26 71 1 0 27 72 1 0 28 73 1 0 31 74 1 0 M END