HMDB0294508 RDKit 3D DG(18:2(10E,12Z)+=O(9)/0:0/10:0) 91 90 0 0 0 0 0 0 0 0999 V2000 -11.4641 0.6087 -3.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8517 1.1023 -4.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4389 2.5212 -4.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3883 2.9862 -3.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5969 2.8733 -2.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4303 3.4404 -1.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6916 2.7463 -0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9330 1.3526 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1083 0.7218 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2920 -0.6712 0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2452 -1.3533 0.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3871 -1.3693 1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0131 -0.7782 1.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2516 -0.7647 0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0191 -2.1151 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2594 -3.0731 0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8713 -2.6214 1.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0262 -2.3778 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3606 -1.9358 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 -2.7759 0.7278 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6049 -0.6246 0.5492 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7047 0.0864 0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 -0.1562 2.3121 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6326 -1.4297 2.4613 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9924 0.9558 2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2705 0.9517 2.3373 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2976 0.0822 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1278 -0.8834 3.2967 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6185 0.2002 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4715 -0.9448 2.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8504 -0.9114 1.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6051 0.3106 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9623 0.4500 1.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1920 0.5999 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7380 -0.4248 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2053 -0.0563 -2.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7025 0.0067 -2.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9365 1.3797 -2.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7735 -0.0546 -2.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3445 -0.0753 -3.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6132 0.9778 -5.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0065 0.4466 -4.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3491 3.1703 -4.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1416 2.8354 -5.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1673 4.0657 -3.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4301 2.4275 -3.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8319 1.8682 -1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4636 3.5351 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2088 4.4968 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8423 3.2587 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7065 0.7560 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3128 1.2811 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8674 -1.4442 2.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3347 -2.4528 1.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1157 0.2654 2.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5076 -1.3185 2.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7589 -0.1064 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 -0.3080 0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0235 -2.5644 -0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5283 -2.0366 -0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 -3.4298 1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1142 -4.0000 0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4129 -3.4227 1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8499 -1.6908 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -3.3518 -0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -1.6607 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5057 1.1991 0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 -0.1415 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1881 -0.1807 2.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2771 -1.6456 1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 1.9330 2.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0079 0.8328 4.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0232 1.1914 2.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5019 0.2491 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9937 -1.8781 1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5744 -1.0335 3.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7328 -1.2204 0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3939 -1.7710 2.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0160 1.2544 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7487 0.3824 3.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6006 -0.4074 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4182 1.3585 1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8192 1.6200 -0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3247 0.7217 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0839 -1.4323 -0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6108 -0.3293 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7583 0.8886 -2.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8493 -0.9069 -3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0359 1.0089 -2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0799 -0.7875 -1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0771 -0.2147 -3.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 9 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 16 62 1 0 17 63 1 0 17 64 1 0 18 65 1 0 18 66 1 0 22 67 1 0 22 68 1 0 23 69 1 1 24 70 1 0 25 71 1 0 25 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 31 77 1 0 31 78 1 0 32 79 1 0 32 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 37 91 1 0 M END