HMDB0035125 RDKit 3D Darwinol 27 28 0 0 0 0 0 0 0 0999 V2000 -2.3412 -1.1591 0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -0.2453 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3907 0.5460 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7476 0.5600 1.4093 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1012 1.7149 0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2479 1.1749 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2482 -0.1000 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3165 -0.6470 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2585 0.2937 -1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 -0.9596 0.3032 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0573 -0.6615 1.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2669 -0.6540 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2071 -2.1116 -0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5427 -1.2906 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 -0.1119 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4809 0.8476 -1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0879 1.3816 -0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5484 0.7803 2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4826 2.4418 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 2.1740 1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 1.8722 -0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8724 -1.0482 -1.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -1.5288 -0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8453 0.5206 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -2.0082 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -1.3869 2.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0536 -0.3949 2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 10 2 1 0 11 4 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 1 5 19 1 0 5 20 1 0 6 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 10 25 1 1 11 26 1 0 11 27 1 0 M END