HMDB0031953 RDKit 3D 3,5-Dihydroxyergosta-7,22-dien-6-one 75 78 0 0 0 0 0 0 0 0999 V2000 6.6673 1.4667 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 0.0215 0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0502 -0.5192 1.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -0.8107 0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0475 -2.2433 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6966 -0.2938 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4459 0.1215 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 0.6382 -1.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 2.1394 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -0.0757 -1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 0.6315 -2.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4961 1.5472 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5701 1.0080 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 0.8666 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6386 1.7279 0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0534 1.5448 1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 1.8951 2.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8341 0.9185 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6651 1.7582 -1.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2925 0.8399 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 -0.3066 1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1617 0.1287 2.3926 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8971 -1.4953 1.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4514 -1.2419 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 -0.4121 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 -1.0071 -1.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7235 -0.2760 -0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9392 -1.5078 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 -1.4648 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2274 -0.2443 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6688 -0.5936 1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6044 1.7328 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0110 1.6684 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2684 2.0833 0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2265 -0.0672 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6411 -0.9896 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6989 -1.2141 0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7109 0.3323 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2517 -0.7077 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2343 -2.2785 -0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0231 -2.4189 0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 -2.9700 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0252 -0.2492 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2345 0.0353 1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 0.5068 -1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5562 2.4425 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1378 2.6249 -1.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 2.5238 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5112 -1.0771 -1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 1.2213 -2.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -0.0966 -2.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 1.4609 -2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2453 2.6221 -1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 1.7400 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0778 2.5720 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9074 1.4488 -1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5714 1.8117 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8198 0.9151 -0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7524 -0.6615 0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8551 0.8275 2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2005 -2.3321 0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0169 -1.9351 2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0566 -0.6746 1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -2.2076 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9162 -1.3068 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9779 -0.1985 -2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2965 -1.8074 -1.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5882 -0.3207 -1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9974 -1.5318 1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 -2.3715 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 -2.3730 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 -1.5321 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3705 -1.4191 1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9708 0.3483 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 -0.9387 1.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 2 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 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 10 1 0 30 13 1 0 27 14 1 0 25 18 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 15 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 22 60 1 0 23 61 1 0 23 62 1 0 24 63 1 0 24 64 1 0 26 65 1 0 26 66 1 0 26 67 1 0 27 68 1 0 28 69 1 0 28 70 1 0 29 71 1 0 29 72 1 0 31 73 1 0 31 74 1 0 31 75 1 0 M END