HMDB0261353 RDKit 3D PE(18:1(12Z)-2OH(9,10)/18:1(9Z)) 131130 0 0 0 0 0 0 0 0999 V2000 3.4419 -4.6947 -5.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 -3.8059 -4.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 -3.1441 -4.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -2.2092 -3.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3807 -1.6545 -3.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0233 -0.7289 -2.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9867 -0.9186 -1.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 -2.0772 -1.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -1.7650 -1.8749 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7201 -0.9976 -0.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7448 -1.0025 -3.0638 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1561 -0.9256 -3.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3549 -1.5106 -4.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9177 -0.6327 -5.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5152 0.8027 -5.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0296 1.0350 -5.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 2.5266 -5.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 3.2174 -4.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 2.8116 -3.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1739 3.1353 -2.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4031 3.6911 -3.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5828 2.8463 -1.7904 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9302 3.2169 -1.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7352 2.9366 -0.6196 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1077 1.5291 -0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0942 0.7212 0.1029 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 -0.8372 0.4000 P 0 0 0 0 0 5 0 0 0 0 0 0 3.5248 -0.7988 1.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6941 -1.3481 -0.8325 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4116 -1.8880 0.7063 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -3.2084 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 -4.1970 1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 -3.9148 2.3263 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 3.5435 0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9162 4.5147 1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0521 4.8570 0.8014 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4107 5.1512 2.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 4.8919 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2956 5.4539 3.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 4.9653 5.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4035 3.6636 5.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5348 2.3810 4.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 2.1174 4.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4307 0.8831 3.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2316 -0.1407 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4952 -0.2364 3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -1.4234 4.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 -1.6169 5.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -0.5471 6.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 -0.9233 7.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7717 -1.1407 7.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 -1.4987 8.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0161 -1.7401 8.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 -4.7874 -6.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7883 -5.6931 -5.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -4.2908 -6.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 -4.4404 -3.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1536 -3.0523 -4.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 -3.9551 -4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 -2.5422 -5.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 1 10 70 1 0 11 71 1 1 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 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 0 23 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 M END