HMDB0266573 RDKit 3D PA(2:0/18:3(9,11,15)-OH(13)) 72 71 0 0 0 0 0 0 0 0999 V2000 10.4981 2.4076 -1.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3326 1.0354 -1.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2913 0.2611 -1.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2002 -0.2023 -1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 -0.9602 -2.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 -0.2634 -2.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 1.0089 -2.6329 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3714 -0.0680 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 -0.6234 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8382 -0.4170 1.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7142 -0.9890 1.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 -0.7464 3.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0127 -0.1106 3.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -0.8686 2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3587 -1.3718 1.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 -2.0018 1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9095 -1.2669 1.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3796 -0.5036 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7452 0.0833 2.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2679 0.7573 2.9202 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3995 -0.1047 0.8306 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6992 0.4220 0.5191 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7266 -0.6074 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4602 -1.5193 -0.6756 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3422 -1.4591 -2.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0139 -2.6777 -2.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5047 -0.3792 -2.5956 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5302 1.5261 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7568 2.0889 -0.8518 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3904 3.3194 -1.9617 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.7122 3.9143 -2.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4087 4.4855 -1.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5742 2.6819 -3.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0631 3.2119 -1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0056 2.4486 -2.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5644 2.6295 -1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0772 1.1332 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2984 0.4899 -1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4683 0.0844 -2.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 -0.0337 -0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0365 -1.9436 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5071 -1.0803 -3.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1363 -0.7844 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0157 1.2437 -2.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9642 0.5703 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7143 -1.2561 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3947 0.2053 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 -1.5997 0.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0813 -0.0571 3.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4366 -1.6895 3.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 0.2666 4.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 0.8936 2.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2503 -1.8257 3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0592 -0.3004 3.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3611 -2.2898 1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0346 -0.7078 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5359 -2.5447 0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7383 -2.9082 1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7315 -2.0504 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9796 -0.6632 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3199 -1.0734 3.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7505 0.4375 2.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9614 0.9970 1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8179 -1.1737 1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7089 -0.0621 0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7880 -3.5406 -2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9044 -2.8826 -3.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1266 -2.3790 -3.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9066 2.3731 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9528 1.3044 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7614 4.7223 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0230 2.9832 -4.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 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 24 25 1 0 25 26 1 0 25 27 2 0 22 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 22 63 1 1 23 64 1 0 23 65 1 0 26 66 1 0 26 67 1 0 26 68 1 0 28 69 1 0 28 70 1 0 32 71 1 0 33 72 1 0 M END