HMDB0041824 RDKit 3D alpha-Zearalenol 47 48 0 0 0 0 0 0 0 0999 V2000 0.0713 3.7921 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3485 2.3403 0.2929 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6616 2.1470 -0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 1.2555 0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 0.3899 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8314 -0.9086 -0.2855 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0600 -0.7144 0.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9807 -1.7438 0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 -2.4304 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5575 -1.6212 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -1.2815 1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1991 -0.9567 1.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 -0.8109 0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5105 -1.6030 1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7248 -1.5887 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 -2.3932 0.9949 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8775 -0.7572 -0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8223 0.0300 -0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0352 0.8509 -2.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 0.0224 -0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4993 0.9278 -0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5847 1.1090 -2.0574 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6152 1.4210 0.0556 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8405 4.4220 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7525 3.8949 -0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6266 4.0928 1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6449 2.2532 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1492 3.0996 -0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 1.6511 -1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3479 1.9268 0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1252 0.6752 1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7306 0.2461 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 0.9859 -1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0979 -1.5090 -1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1411 0.2001 0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6608 -2.5836 0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7396 -1.2043 1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1067 -2.6917 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5877 -3.3826 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1797 -2.2156 -0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7811 -0.7273 -0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7694 -1.3080 2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3626 -0.7718 2.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -2.2724 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6465 -2.3531 0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8399 -0.7539 -1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 0.8492 -2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 2 1 0 20 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 1 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 6 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 14 44 1 0 16 45 1 0 17 46 1 0 19 47 1 0 M END