HMDB0114487 RDKit 3D PE-NMe2(22:2(13Z,16Z)/22:1(13Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -3.4226 -2.8993 4.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -3.5828 4.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -2.5600 4.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -3.1742 3.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7621 -4.2690 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 -3.6968 6.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 -3.6424 7.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1653 -4.1689 6.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -4.9120 5.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 -4.5173 5.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 -3.3095 5.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3866 -2.3214 4.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 -2.6685 2.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5179 -3.7613 1.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0748 -3.5958 1.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 -4.7574 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2415 -4.6135 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9021 -3.5780 -0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 -2.1467 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -1.5235 0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 -0.0414 0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 0.7124 1.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3536 0.1625 2.4759 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4544 2.0693 1.8809 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8728 2.8226 2.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 4.2410 2.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8632 4.2993 3.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 3.6364 4.4189 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7407 3.6658 4.8696 P 0 0 0 0 0 5 0 0 0 0 0 0 5.1300 5.0524 5.3946 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 2.5021 6.0698 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3732 3.5345 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7115 2.0338 3.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6114 1.8399 1.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1943 2.6248 0.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3603 4.0346 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8757 2.1929 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 4.8997 1.6733 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3255 5.9695 1.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2649 6.3756 2.6278 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 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