HMDB0062242 RDKit 3D 7Z-octadecenoic acid 54 53 0 0 0 0 0 0 0 0999 V2000 7.8842 0.7971 -1.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 0.8806 -0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9922 -0.0947 -0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 0.1529 -1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8357 -0.8242 -1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1507 -0.6650 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 -1.6519 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -1.5377 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.1795 1.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2945 0.2498 0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -0.6480 0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -0.3771 0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1808 0.9562 1.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1625 1.5177 0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3942 0.6543 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3261 1.2756 -0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5809 0.4829 -1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 -0.8932 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8694 -1.7921 -0.7793 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5807 -1.2692 -2.8545 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9703 0.6209 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8166 1.7756 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4973 -0.0419 -2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8518 0.6634 0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 1.9181 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6023 0.0070 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -1.1409 -0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4683 -0.0830 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5906 1.1728 -1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1666 -0.6537 -1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2563 -1.8559 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8283 -0.9313 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7974 0.3715 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3365 -2.6847 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3114 -1.4127 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 -1.7074 2.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5468 -2.3539 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 0.5641 1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 -0.0847 2.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 0.2691 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5736 1.2734 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 -1.7076 0.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4376 -1.2224 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6272 0.9308 2.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 1.6761 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 2.5347 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6127 1.6433 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 -0.3790 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9051 0.6599 1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7964 1.3763 -1.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5827 2.3286 -0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2042 1.0043 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2046 0.4429 -0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2827 -2.0085 -3.0020 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 1 0 11 12 2 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 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 20 54 1 0 M END