HMDB0253995 RDKit 3D Lavendustin A 47 49 0 0 0 0 0 0 0 0999 V2000 -3.1399 4.2743 0.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7189 3.1717 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5891 2.4423 -0.4551 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 2.5610 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1349 1.3036 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0278 0.6225 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3166 -0.6586 -0.0377 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 -1.3362 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8808 -1.7465 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0995 -1.5570 1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2516 -1.9698 1.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 -2.6042 1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0499 -2.8088 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8978 -2.3918 -0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7368 -2.6153 -2.2131 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -1.3019 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 -0.6817 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5985 0.4120 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 0.9967 -1.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5141 2.1288 -2.7109 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9175 0.4378 -1.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1152 -0.6833 -0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9883 -1.2094 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1956 -2.3296 0.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9596 1.2480 1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6856 2.4823 1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5257 3.1523 1.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 4.3931 2.1018 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4263 2.5840 -1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 0.8239 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2191 -2.2202 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9845 -0.6497 -1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 -1.0760 1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4201 -1.8197 2.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1601 -2.9444 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8501 -3.3130 -0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4538 -3.0762 -2.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -1.3558 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5432 -2.3710 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6253 0.8394 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5798 3.0508 -2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7799 0.8919 -2.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1054 -1.1067 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3864 -2.7321 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8989 0.7552 1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3886 2.9914 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4944 4.9960 2.0336 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 7 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 6 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 4 1 0 14 9 1 0 23 17 1 0 3 29 1 0 5 30 1 0 8 31 1 0 8 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 18 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 24 44 1 0 25 45 1 0 26 46 1 0 28 47 1 0 M END