HMDB0002114 RDKit 3D Bisdemethoxycurcumin 39 40 0 0 0 0 0 0 0 0999 V2000 -1.1913 -0.3640 -2.7388 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0871 -0.2059 -1.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3028 -0.1348 -0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5121 -0.2316 -1.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7437 -0.1723 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9493 -0.2894 -1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1594 -0.2375 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1810 -0.0666 0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3629 -0.0111 1.6564 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9997 0.0533 1.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8234 -0.0039 0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 -0.0921 -0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2789 -0.1924 -1.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -0.3499 -3.1008 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 -0.1099 -1.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1128 0.0563 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4913 0.1453 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8243 0.3205 1.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1325 0.4111 1.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 0.3246 0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4636 0.4187 1.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8608 0.1503 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5293 0.0619 -0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2026 0.0013 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5345 -0.3691 -2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9246 -0.4236 -2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0959 -0.3310 -0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7389 -0.8773 2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 0.1903 2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 0.0911 1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 -0.8664 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3623 0.8844 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4702 -0.1854 -2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 0.1333 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0594 0.3946 2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3879 0.5500 2.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9257 1.3168 1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6688 0.0842 -1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3973 -0.0739 -1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 2 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 11 5 1 0 23 17 1 0 3 24 1 0 4 25 1 0 6 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 15 33 1 0 16 34 1 0 18 35 1 0 19 36 1 0 21 37 1 0 22 38 1 0 23 39 1 0 M END