HMDB0113490 RDKit 3D PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) 124123 0 0 0 0 0 0 0 0999 V2000 11.4507 -1.6980 -0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3952 -0.4766 -1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2589 0.1042 -2.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9385 1.2934 -2.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6106 2.4614 -1.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6923 2.3829 -0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6502 2.5169 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2823 2.7568 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3332 1.7010 0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2860 1.8869 1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9618 3.2781 1.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 3.6678 1.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5926 4.0319 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5847 4.0971 3.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6764 3.2720 3.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 2.3986 3.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5349 1.9760 2.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1322 2.2869 1.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 1.9164 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.4759 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3887 0.0812 -1.0561 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 -0.4168 1.0566 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1818 -1.7941 0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 -2.4015 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -3.9216 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2825 -4.4287 0.6863 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 -6.0992 0.5951 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0800 -6.7104 1.9809 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7161 -6.6309 -0.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0648 -6.5930 -0.3149 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0785 -7.9900 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2805 -8.4072 -1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3126 -9.8625 -1.2722 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2192 -10.3509 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -1.9390 -0.2979 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2639 -1.4401 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6918 -1.4298 1.1022 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -0.9466 -1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2863 -1.7810 -1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 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31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 34 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 52119 1 0 53120 1 0 53121 1 0 54122 1 0 54123 1 0 54124 1 0 M END