HMDB0041061 RDKit 3D Nigellidine 40 43 0 0 0 0 0 0 0 0999 V2000 -4.1262 3.2746 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8621 2.5364 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6608 3.2095 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4823 2.4826 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 3.2014 -0.2786 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.4725 1.1228 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 0.1733 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 0.3094 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -0.4516 1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1111 -0.4304 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 0.3137 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1509 0.3266 -0.2086 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9782 1.0690 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5799 1.0569 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1312 -1.0282 0.4205 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.4187 -0.7927 0.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6954 0.4876 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8966 1.1767 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3773 -1.8998 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7951 -3.0214 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 -3.4465 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 -2.3632 0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4634 3.2301 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9819 4.3437 -0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 2.9019 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6554 4.2639 -0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 -1.0423 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7046 -1.0359 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7401 -0.2196 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4714 1.6636 -1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0429 1.6284 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8347 0.6259 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3584 -2.2088 1.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -1.6423 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6345 -2.6646 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 -3.8609 -0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0742 -4.0922 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8044 -4.1769 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3757 -2.4600 0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5269 -2.5607 1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 7 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 18 2 1 0 17 6 1 0 14 8 1 0 22 15 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 9 27 1 0 10 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 18 32 1 0 19 33 1 0 19 34 1 0 20 35 1 0 20 36 1 0 21 37 1 0 21 38 1 0 22 39 1 0 22 40 1 0 M CHG 2 5 -1 15 1 M END