HMDB0038122 RDKit 3D Curcumol 41 43 0 0 0 0 0 0 0 0999 V2000 -2.0940 2.7624 -0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2515 1.7850 -0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0287 2.0870 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7385 0.7967 0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6269 1.0803 1.6465 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2474 -0.0811 1.0728 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 -0.6284 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -0.9981 -0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3569 0.2099 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8027 -0.1600 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 1.0109 -0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0337 -1.2536 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6528 -1.8064 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -2.0912 1.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9401 -1.4923 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 0.0217 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 0.4019 -0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0574 2.5744 -1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 3.7991 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 2.7984 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7185 2.5656 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 2.0477 1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2699 -1.0985 -1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8712 -1.9214 -0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2838 0.8746 -1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1502 -0.5474 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 1.0745 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6338 0.9649 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 1.9306 -0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7952 -2.2701 0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5796 -1.0537 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1461 -1.2824 0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -2.7043 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0662 -2.2588 1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 -3.0719 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5755 -1.3567 2.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 -1.6802 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8115 -1.9979 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 0.2610 0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7457 0.4885 -1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4864 0.2196 -1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 7 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 2 1 0 9 4 1 0 17 7 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 M END