HMDB0258333 RDKit 3D Skimmianine 32 34 0 0 0 0 0 0 0 0999 V2000 -3.8772 2.6089 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 1.3174 -0.1031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0869 0.9947 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 1.9855 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1896 1.6392 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 0.3617 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 0.0544 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 1.0096 0.3097 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5526 1.3657 -0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 -1.2386 0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 -1.8600 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2309 -3.1879 1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -3.3539 1.1252 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3155 -2.2332 0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0104 -1.8958 0.7276 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -0.6318 0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -0.3009 0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7018 -1.2464 0.4479 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2236 -2.0231 -0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6869 2.7865 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3938 3.3962 0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9784 2.6522 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 3.0132 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9583 2.4026 -0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0425 0.9913 -1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 1.0332 -0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6021 2.4850 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5097 -1.4080 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 -3.9322 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7836 -3.0373 -0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3166 -2.1653 -0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1233 -1.5830 -1.5895 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 17 3 1 0 16 6 1 0 14 10 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 5 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 11 28 1 0 12 29 1 0 19 30 1 0 19 31 1 0 19 32 1 0 M END