HMDB0011211 RDKit 3D PC(P-16:0/18:2(9Z,12Z)) 131130 0 0 0 0 0 0 0 0999 V2000 -4.9356 -6.4090 -7.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9257 -5.6547 -6.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6541 -4.2776 -7.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6423 -3.5597 -6.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3429 -2.1447 -7.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 -1.5870 -6.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 -0.5080 -5.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7088 0.3503 -5.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 0.4359 -4.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4478 1.6025 -3.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9184 2.8550 -3.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8238 3.5008 -3.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9941 4.0361 -1.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 3.1839 -0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4547 3.8950 0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 4.2471 1.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 4.9328 2.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4791 5.1723 2.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0724 6.1029 2.1202 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1451 4.4085 3.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 4.4194 4.0445 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0868 3.0762 4.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3502 2.3358 3.0311 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2504 2.5971 2.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 3.1490 0.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 3.5921 0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2046 3.1033 -0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9593 1.6608 -1.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1363 0.7813 -0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.6788 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7242 -1.2077 -0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4473 -2.6835 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 -3.2089 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -4.5545 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6797 -5.7632 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6665 -5.8924 -1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4279 -7.2196 -1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1817 -7.3686 0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -6.2932 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 5.1174 5.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7568 4.4524 6.3482 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8252 5.1198 7.8912 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9291 6.1250 8.0585 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3834 5.8551 8.3720 O 0 0 0 0 0 1 0 0 0 0 0 0 2.0646 3.7875 8.9517 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 2.8159 8.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2538 1.6330 9.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 0.5872 9.2769 N 0 0 0 0 0 4 0 0 0 0 0 0 0.3581 -0.0170 7.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5384 -0.4659 10.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 1.0501 9.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2573 -7.3487 -7.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4546 -6.6568 -8.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8256 -5.7568 -7.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 -5.5277 -5.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0199 -6.2298 -6.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5912 -3.7109 -7.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 -4.4457 -8.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 -4.1465 -6.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0737 -3.4281 -5.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8521 -2.3524 -8.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 -1.6228 -7.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3891 -2.1439 -6.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 -0.2053 -4.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 1.3092 -5.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5027 -0.1402 -6.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7765 -0.4669 -3.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 1.5224 -2.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8118 3.6046 -3.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 2.9011 -5.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 2.8211 -3.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 4.3892 -3.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9629 4.4109 -1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5845 4.9970 -1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6062 3.0669 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 2.1853 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 3.1526 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 4.7286 0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4213 3.3802 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 5.0217 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4802 4.3000 3.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4668 5.9169 2.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0582 5.1021 3.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 3.2168 4.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5569 2.4583 4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3274 2.3248 2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8309 3.3057 0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9243 3.2324 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6204 4.7185 0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 3.7136 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 3.4845 -1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 1.5236 -2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 1.3594 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4897 0.7721 0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9569 1.1393 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6859 -1.3291 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 -0.8119 -2.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 -1.2516 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 -0.6193 -0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2045 -2.8111 -1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 -3.2250 -0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7402 -3.1281 1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 -2.4883 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0155 -4.7115 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7216 -4.4947 -1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 -5.9587 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0122 -6.6571 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4065 -5.1220 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 -6.0351 -2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 -8.0867 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1429 -7.2498 -1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 -7.4487 1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7677 -8.3345 0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 -5.5044 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1115 -6.7088 0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4851 -5.7675 -0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5798 5.1843 5.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 6.1464 5.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 2.5223 7.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0814 3.2597 8.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0908 1.9733 10.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 1.2157 9.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5445 0.6517 7.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6611 -0.4675 7.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0624 -0.8848 8.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0493 -1.3712 10.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6217 -0.7703 10.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 -0.1033 11.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 0.1546 9.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 1.6814 10.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 1.5398 8.5846 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 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 21 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 6 22 84 1 0 22 85 1 0 24 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 49123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 M CHG 2 44 -1 48 1 M END