HMDB0034199 RDKit 3D 3beta-Ergosta-5,23-dien-3-ol 75 78 0 0 0 0 0 0 0 0999 V2000 4.9457 2.0992 -0.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 0.9671 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9645 0.3056 0.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6009 0.6733 1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 -0.3885 0.8110 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9293 -1.5518 1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2359 0.2333 1.1245 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0100 1.4065 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3084 1.1284 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4979 -0.3590 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8966 -0.8249 -0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2655 -0.7163 -2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7374 -0.7704 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6189 -0.8049 -1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0653 -0.8576 -1.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6936 0.4390 -1.0827 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9983 0.2050 -0.6351 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8564 1.0994 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3017 0.0382 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 -0.7918 0.2115 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2976 -2.1724 0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8784 -0.1575 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4014 -0.2427 1.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 0.1374 1.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0121 -0.5341 1.0409 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0032 -1.9746 1.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0410 0.6003 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 0.1447 -2.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 1.8292 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9998 1.7448 -1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7282 2.8722 -0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5349 2.5228 -1.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5281 -0.5042 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6151 0.8220 2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3142 1.6693 0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -0.7430 -0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5814 -2.5309 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0306 -1.6524 1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6565 -1.4042 2.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3461 0.6814 2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 1.4590 -0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9849 2.3786 0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 1.7372 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2684 1.3622 -1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1684 -0.8891 -1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -1.9159 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8743 0.1983 -2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 -1.5786 -2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0922 -0.7813 -3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5670 -1.7357 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2508 -0.9408 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7182 1.1300 -1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2825 0.9377 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 1.7772 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5557 1.7116 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9949 0.4162 1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1548 -0.6673 1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3557 -2.7128 0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0839 -2.7326 0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6457 -2.0780 1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 0.9275 0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.5007 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 -1.2302 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7273 -0.1521 3.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 1.2369 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 -2.5879 0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4582 -2.2623 2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -2.2691 1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4600 -0.2044 -0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2154 0.3313 -2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0455 -0.9669 -2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 0.6545 -2.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0179 2.4625 -1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9457 1.5027 -0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4768 2.3430 0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 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 2 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 1 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 1 2 27 1 0 27 28 1 0 27 29 1 0 25 7 1 0 25 10 1 0 22 11 1 0 20 14 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 6 6 37 1 0 6 38 1 0 6 39 1 0 7 40 1 1 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 15 50 1 0 15 51 1 0 16 52 1 6 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 21 58 1 0 21 59 1 0 21 60 1 0 22 61 1 0 23 62 1 0 23 63 1 0 24 64 1 0 24 65 1 0 26 66 1 0 26 67 1 0 26 68 1 0 27 69 1 0 28 70 1 0 28 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 29 75 1 0 M END