HMDB0039611 RDKit 3D Curcumin I 53 54 0 0 0 0 0 0 0 0999 V2000 7.5317 0.9091 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1265 0.5580 -1.2517 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1492 -0.4320 -1.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5958 -1.0521 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 -2.0457 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1307 -2.6993 0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 -2.3192 1.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -1.3316 1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 -0.3068 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -0.1478 -0.3882 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.7281 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 0.1468 0.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5351 -1.0703 0.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4122 1.0354 1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 0.6197 1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7534 1.5986 1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7672 1.6460 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6346 2.4544 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5945 2.4852 -1.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7352 1.6994 -1.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7031 1.7277 -2.6958 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8682 0.8917 -0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9919 0.0776 -0.4536 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1937 -0.7708 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9192 0.8589 0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2021 -2.3989 -1.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7576 -1.7770 -2.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 -0.7917 -2.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3087 -0.1494 -3.7304 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0404 0.0843 0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2466 1.7660 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 1.2091 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9279 -0.7653 0.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0975 -2.8745 1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9929 -3.8205 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 -2.9639 2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5992 -1.2589 2.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1876 1.5999 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 1.0391 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2558 2.1109 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -0.4321 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3569 2.6090 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2742 1.2908 2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7506 3.1002 -0.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4614 3.1265 -2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6270 2.3106 -3.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9803 -0.1625 1.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5736 -1.6696 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2651 -1.0636 0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0014 0.2308 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -3.1722 -1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4537 -2.0344 -3.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0164 -0.4039 -4.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 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 1 0 23 24 1 0 22 25 2 0 5 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 3 1 0 25 17 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 11 38 1 0 11 39 1 0 14 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 18 44 1 0 19 45 1 0 21 46 1 0 24 47 1 0 24 48 1 0 24 49 1 0 25 50 1 0 26 51 1 0 27 52 1 0 29 53 1 0 M END