HMDB0038850 RDKit 3D Cycasin 33 33 0 0 0 0 0 0 0 0999 V2000 5.3034 1.0363 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8641 0.9243 0.4023 N 0 0 0 0 0 4 0 0 0 0 0 0 2.9517 1.2563 1.3618 O 0 0 0 0 0 1 0 0 0 0 0 0 3.5288 0.4931 -0.7618 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 0.3269 -1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3498 -0.0051 -0.0443 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0359 -0.1446 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 0.6942 0.2289 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0842 0.7029 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8296 1.6238 0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2013 2.8785 0.6578 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7284 -0.6422 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1042 -1.0616 1.0999 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8501 -1.7136 -0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3513 -2.9659 -0.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 -1.5921 -0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 -1.9699 1.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4642 1.0588 1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7772 0.1511 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6543 1.9742 0.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -0.5174 -1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 1.2246 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 0.0386 -1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 1.1127 -1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9001 1.6622 0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 1.3126 1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7809 3.5459 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6594 -0.5862 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4331 -0.8215 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 -1.6196 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1145 -3.2328 0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1854 -2.2528 -1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1197 -2.8918 1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 7 1 0 1 18 1 0 1 19 1 0 1 20 1 0 5 21 1 0 5 22 1 0 7 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 M CHG 2 2 1 3 -1 M END