HMDB0113489 RDKit 3D PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) 126125 0 0 0 0 0 0 0 0999 V2000 13.0250 -2.5180 -1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3231 -1.1678 -1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5611 -0.5887 -2.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5816 -0.2808 -3.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1389 -0.4596 -3.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 0.8840 -3.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9432 1.4910 -2.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8379 0.8528 -1.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5303 1.6105 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9712 2.1186 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5251 2.0161 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9808 3.3869 1.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0194 3.8088 0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3214 3.1368 -0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 2.9137 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 3.1648 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3815 3.7155 2.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0692 2.7881 3.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6644 2.3938 3.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 1.6186 2.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 1.9238 1.9475 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 0.5495 1.7014 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -0.0859 0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2213 -0.7901 1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1715 -2.0331 2.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9786 -1.8051 3.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2522 -3.3364 3.7936 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7867 -3.3005 5.2506 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8632 -3.7818 3.6706 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2629 -4.4453 2.9883 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9653 -5.4420 2.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 -6.3295 1.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -7.4227 0.9502 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -7.0092 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -1.2682 0.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4137 -0.9075 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7366 -0.1970 1.2431 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4547 -1.2860 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7195 -0.4949 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4364 0.9486 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0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 29 89 1 0 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 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 54126 1 0 M END