HMDB0284874 RDKit 3D PE(DiMe(13,5)/20:4(5Z,8Z,11Z,13E)-OH(15S)) 145145 0 0 0 0 0 0 0 0999 V2000 18.4086 0.7900 -0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6097 0.5472 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8079 -0.5188 -2.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3253 -0.4383 -2.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6123 -0.3429 -1.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1420 -0.2644 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3818 -1.2463 -0.8597 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0943 -0.9502 -0.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9994 -1.8629 -0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4182 -1.7258 0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7308 -0.5327 1.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -0.1645 0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4157 -1.2987 0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1273 -1.6153 2.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.5438 2.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1479 -0.0968 2.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7106 0.9521 3.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3745 1.5718 3.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 0.8259 3.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9006 -0.4196 2.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5082 -0.9100 3.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3134 -2.1149 3.3361 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4368 0.0904 3.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 -0.2477 3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6359 0.9682 3.8941 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9987 0.2728 4.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2425 -0.6725 3.3486 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7061 -1.4622 3.5427 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6672 -2.5719 4.5186 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8717 -0.2972 4.0948 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3118 -1.9233 2.0125 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -3.2409 1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5007 -3.6866 0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9336 -3.6126 0.2577 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 1.5009 2.6565 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6484 2.6334 1.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 3.6623 2.5074 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0131 2.6255 0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3117 3.3648 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8054 3.0109 -1.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2436 1.5804 -1.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4188 1.1971 -1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5254 1.9954 -1.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6814 2.0818 -1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8676 1.6080 -1.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0974 0.9903 -2.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0498 1.7731 -3.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1470 1.2283 -4.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2889 -0.2515 -3.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5730 -0.5734 -4.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1225 -1.8954 -4.4272 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.3887 -2.6813 -5.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0421 -2.6857 -3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6812 -2.0987 -1.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1257 -1.7352 -2.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5924 -1.2775 -0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7194 -0.1478 -0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9889 0.3265 -1.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8280 1.1741 -1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2727 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