HMDB0039610 RDKit 3D Curcumin II 49 50 0 0 0 0 0 0 0 0999 V2000 -5.9187 -0.7752 2.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4398 -0.3155 1.1831 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6058 0.4170 0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3024 0.7183 0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 1.4453 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0575 1.7563 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1464 0.6864 -0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1947 1.0093 -1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6943 -0.0275 -1.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5932 0.2938 -2.4767 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 -1.4228 -1.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -2.3791 -1.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -2.9406 -2.8713 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 -2.8483 -1.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4922 -2.5396 -0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1224 -1.5512 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2692 -0.5704 0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3141 0.5556 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3726 1.4613 0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3627 1.1801 1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4357 2.0799 1.2863 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3114 0.0322 1.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2592 -0.8463 1.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9876 1.8907 -1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2927 1.6059 -1.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1069 0.8765 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4248 0.6068 -1.2305 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7846 -1.0728 3.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3547 0.0323 2.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2369 -1.6160 2.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 0.3767 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0119 1.7380 1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7664 2.7423 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3132 -0.3105 0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0854 2.0572 -1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5229 -1.7083 -1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 -1.5031 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 -3.6469 -2.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 -3.0686 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -0.9257 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 -2.0227 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5598 0.8140 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4340 2.3657 -0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2812 2.8043 1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0968 -0.1897 2.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2327 -1.7580 2.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3266 2.4621 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6887 1.9603 -2.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0151 0.0710 -0.6071 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 2 0 5 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 3 1 0 23 17 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 11 36 1 0 11 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 18 42 1 0 19 43 1 0 21 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 27 49 1 0 M END