HMDB0035830 RDKit 3D Genipin 30 31 0 0 0 0 0 0 0 0999 V2000 4.9320 0.6972 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 0.3686 0.3498 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 0.2182 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5679 0.3948 -1.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2883 -0.1169 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2793 -0.2945 1.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0986 -0.6225 2.3409 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1277 -0.8584 1.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 -0.5648 2.4629 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 0.0947 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1973 0.0707 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6281 -0.3231 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7612 -1.6435 0.1079 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7009 0.4820 -1.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2246 0.8007 -1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 -0.2587 -0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7653 0.1362 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9123 0.4417 -1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0869 1.7973 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -0.1861 2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 -1.9209 1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 0.4276 2.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 1.1025 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 0.3480 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2086 -0.2153 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7733 -2.1963 -0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 0.5968 -2.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1075 1.7881 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 0.6691 -2.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0948 -1.2331 -0.8894 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 2 0 14 15 1 0 15 16 1 0 16 5 1 0 16 10 1 0 1 17 1 0 1 18 1 0 1 19 1 0 6 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 12 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 15 29 1 0 16 30 1 0 M END