HMDB0302524 RDKit 3D Lupinic acid 30 31 0 0 0 0 0 0 0 0999 V2000 2.1259 2.5868 1.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 1.7751 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9718 2.1251 -0.9115 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3408 0.3883 0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2829 -0.5820 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -1.6328 -0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2696 -1.9924 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5876 -0.9609 -0.0179 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 -0.8596 -0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 0.3564 -0.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3762 0.9227 0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 1.0020 1.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 0.3164 0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 2.1744 -1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3015 0.2942 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 -1.0575 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -0.0659 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2949 -2.5696 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 -1.3816 -1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1761 -2.4889 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -2.7991 0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -0.7798 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3956 -1.7917 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 1.1796 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6902 0.0892 -0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7761 1.9787 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0166 0.3833 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8562 0.4165 2.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 2.0179 1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1811 0.9553 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 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 4 1 0 13 8 1 0 3 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 M END