HMDB0294425 RDKit 3D DG(10:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)/0:0) 95 94 0 0 0 0 0 0 0 0999 V2000 14.8720 3.5465 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4289 3.1328 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0685 2.2379 0.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6298 1.7603 0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3451 0.9730 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9190 0.5401 -0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6046 -0.3332 0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1393 -0.7452 0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7428 -1.6264 1.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3264 -2.0421 1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8482 -2.8566 2.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4418 -1.5881 0.6828 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0894 -2.0369 0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3605 -1.3855 -0.4443 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4928 0.1214 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9435 0.7548 -1.4582 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0061 -1.7842 -0.5199 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 -2.3895 -1.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -2.6229 -2.6144 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0141 -2.8085 -1.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -2.5464 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0715 -2.9540 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6074 -2.7040 1.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6021 -1.8879 1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3253 -1.1007 0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 0.3207 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2115 1.0802 0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6068 0.6111 0.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3077 1.4428 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9033 1.0609 -1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9626 -0.3096 -1.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2083 -1.0402 -1.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4269 -0.7233 -1.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9550 0.5610 -0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6758 0.3197 0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2748 1.4501 1.0431 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.8752 0.9682 2.2622 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3291 2.2798 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8849 3.0000 -0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9475 4.6455 -0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5148 3.2556 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3244 3.1075 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3540 2.6402 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8009 4.0406 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1619 2.8502 1.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7416 1.3824 0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5330 1.0591 1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9534 2.6136 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6526 1.5220 -1.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9723 0.0348 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6895 -0.0700 -1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 1.4111 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2576 -1.2266 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7712 0.1680 1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0527 -1.3351 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4886 0.1329 0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3743 -2.5338 1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8866 -1.0314 2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 -3.1511 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -1.7753 1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -1.6718 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5786 0.3504 -0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 0.5415 0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 1.0616 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -2.2142 -2.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -3.8761 -1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0794 -3.1739 0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4457 -1.4967 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -4.0975 -0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 -2.6396 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 -3.2205 1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -1.7535 2.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3138 -1.4772 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7855 -1.1733 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1748 0.7686 0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0583 2.1396 1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7438 -0.4555 0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0559 0.9421 1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3259 2.5284 0.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3554 1.8240 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2644 -0.9912 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4598 -0.3286 -2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0943 -2.1015 -2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2025 -1.5077 -1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7349 0.8881 -1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2318 1.3714 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4774 -0.4377 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9343 -0.1612 1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4594 2.1287 1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1207 0.5706 2.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6009 3.0671 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2808 1.6986 0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7896 3.0545 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3115 4.0513 -0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3306 2.5070 -1.6948 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 1 0 7 8 1 0 8 9 1 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 14 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 9 58 1 0 13 59 1 0 13 60 1 0 14 61 1 6 15 62 1 0 15 63 1 0 16 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 26 75 1 0 27 76 1 0 28 77 1 0 28 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 1 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 39 95 1 0 M END