HMDB0247599 RDKit 3D 9-Hydroxylinoleic acid 53 52 0 0 0 0 0 0 0 0999 V2000 7.9348 -2.2747 0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4259 -0.8734 0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1431 -0.7628 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7434 0.6638 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 1.0500 -0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2311 0.5481 -0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9235 -0.1978 0.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -0.6240 1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5587 -0.1019 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4377 0.6579 0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5753 0.9618 1.8561 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 1.1521 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8013 0.6870 -0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4435 1.1189 0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8396 0.6757 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9155 1.1466 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9225 0.8741 -1.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8441 -0.5818 -1.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0093 -1.3213 -0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1719 -1.1870 -1.4369 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8497 -2.1914 0.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7837 -2.2936 1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1628 -2.7219 -0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 -2.9005 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2315 -0.2491 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 -0.4555 1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4050 -1.1292 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3788 -1.4599 0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6779 1.0389 1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5903 1.2414 -0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 0.8592 -1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4651 2.1789 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.8617 -0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6585 -0.5406 1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3074 -0.2346 2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4735 -1.7477 1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 -0.3736 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6236 0.2129 2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 0.8383 -1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3693 2.2746 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7844 -0.4471 -0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3684 0.9805 -1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 0.8673 1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4531 2.2596 0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1652 0.8578 2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8276 -0.4880 1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9553 2.2914 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9210 0.8604 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3006 1.4852 -1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9979 1.2249 -1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9351 -1.0611 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9358 -0.6961 -2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4921 -2.9543 0.2687 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 3 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 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 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 21 53 1 0 M END