HMDB0039425 RDKit 3D (6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one 77 80 0 0 0 0 0 0 0 0999 V2000 -7.1857 1.1786 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0483 0.2429 0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 0.6777 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7613 -0.3320 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1778 -1.1596 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1939 -2.1035 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7915 -3.5078 -0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -2.1080 -0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6084 -2.3370 -2.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8508 -1.9035 -2.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3262 -1.4983 -0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4685 -0.5655 -0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 -1.1868 -1.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9436 -1.0853 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.8343 -1.6029 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 -0.0492 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1109 0.1275 0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2677 1.1318 2.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2514 1.1511 2.8298 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2203 2.1753 2.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8874 1.5111 1.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8132 0.7939 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6968 1.8200 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -0.1732 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3916 0.4346 1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2858 -0.5964 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 -0.9012 -0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4327 0.2642 -1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4164 2.0842 0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1828 2.5004 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 2.3162 1.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1134 1.7005 -0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1247 0.5717 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3384 1.8919 1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3034 -0.7644 0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8571 0.1846 1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 0.6300 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4814 -0.3814 1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 -1.0363 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 -2.0471 1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6192 -3.7050 0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0713 -3.6216 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 -4.2555 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2784 -2.9565 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -3.3926 -2.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 -1.7411 -2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 -2.7434 -2.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9216 -1.0774 -3.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5379 -2.3810 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 0.3977 -1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8532 -0.8143 -2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 -2.2887 -1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 -2.0817 -0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4543 -1.6428 -1.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 -0.4918 0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 2.9602 1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 2.5914 3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1229 2.3249 1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 0.8799 2.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3691 2.6653 -0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0679 1.4156 -1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6692 2.2379 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8924 -1.0674 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1073 1.2771 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6112 0.7395 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6295 -0.2301 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 -1.5075 1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 0.6390 -1.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 0.0551 -1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 1.0978 -0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2711 2.7260 -0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3636 3.4770 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8878 1.7836 -1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3205 2.6364 0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1378 2.3504 2.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5298 1.6000 2.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 3.3263 1.8391 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 2 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 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 3 29 1 0 29 30 1 0 29 31 1 0 27 8 1 0 27 11 1 0 24 12 1 0 22 16 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 4 38 1 0 5 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 15 54 1 0 17 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 23 60 1 0 23 61 1 0 23 62 1 0 24 63 1 0 25 64 1 0 25 65 1 0 26 66 1 0 26 67 1 0 28 68 1 0 28 69 1 0 28 70 1 0 29 71 1 0 30 72 1 0 30 73 1 0 30 74 1 0 31 75 1 0 31 76 1 0 31 77 1 0 M END