HMDB0246831 RDKit 3D 5-Nitroxystearic acid 59 58 0 0 0 0 0 0 0 0999 V2000 7.2262 2.3806 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1513 1.5302 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 0.4741 -1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6645 -0.4558 -0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0948 -1.1704 0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1007 -2.1180 1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -1.6744 1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 -0.9900 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3182 -1.7103 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3001 -0.9050 -0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.6068 -0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 0.1934 -0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1364 0.6708 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0696 -0.3659 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3798 -0.0614 0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4411 0.7061 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1721 2.1350 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4234 2.7923 -0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4387 2.0842 -0.9933 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4401 4.1104 -1.2358 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 -1.2927 0.9358 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6361 -2.6625 0.7912 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.8376 -3.4422 1.7144 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5756 -3.1493 -0.4918 O 0 0 0 0 0 1 0 0 0 0 0 0 6.9670 2.6146 -1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3747 3.3434 -0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2085 1.8631 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6544 1.0373 0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3304 2.1899 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6409 -0.1611 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 0.9032 -1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 0.0973 -0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4677 -1.2359 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0207 -1.7664 0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4894 -0.4650 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0173 -2.9841 0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -2.6428 2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 -2.5291 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.9506 2.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8885 0.0745 0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8429 -1.0261 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -2.6763 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1802 -1.8593 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6811 0.0896 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -1.4307 -1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3049 -1.5164 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 0.0649 0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 1.0688 -1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 -0.4057 -1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 1.3484 0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5032 1.4136 -1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2768 -1.0575 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -1.0855 0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1940 0.3942 1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2966 0.7401 0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9742 0.1916 -0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4223 2.3579 -1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 2.7104 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6811 4.8172 -0.5442 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 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 2 0 18 20 1 0 14 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 20 59 1 0 M CHG 2 22 1 24 -1 M END