HMDB0006894 RDKit 3D 3a,7a-Dihydroxy-5b-cholestan-26-al 76 79 0 0 0 0 0 0 0 0999 V2000 7.2533 -0.4562 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1269 1.0120 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1979 1.4883 -1.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3012 2.6779 -1.4997 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 1.5805 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 1.3598 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2541 -0.0673 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9255 -0.3075 0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8027 -1.8282 0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7826 0.3839 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5822 -0.0991 -1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1954 -0.7422 -1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1954 -0.8830 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6668 -0.9255 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3618 0.3210 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 1.4482 0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 1.5581 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4577 0.2651 0.8278 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5056 -0.0852 2.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8354 0.2934 0.1122 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1749 0.7001 1.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4487 1.3630 -0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6242 0.8475 -1.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5908 0.1061 -0.6682 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6476 -0.3322 -1.4933 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9233 -1.0283 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4423 -1.0217 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7349 -2.1946 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2995 -2.1829 -0.1603 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2149 -2.3372 -1.5209 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2942 -0.7508 -0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2786 -0.7302 0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5751 -1.0743 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4026 1.4854 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8331 0.8004 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6704 1.1868 -1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9492 2.6969 -1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7949 1.9445 -0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7154 1.7860 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 -0.5166 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2374 -0.6422 -0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 0.0205 1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4703 -2.2258 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 -2.2460 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 -2.2194 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0384 1.4867 0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3577 -0.7789 -1.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6198 0.8015 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2725 -1.7370 -1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 -0.1164 -1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2223 -1.8225 0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 -0.9575 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1626 0.6053 -1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2227 2.4191 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 1.2266 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0825 2.3239 1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 1.8323 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3645 0.4494 2.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2697 -1.1694 2.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3863 0.2343 2.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2887 0.6584 1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 1.8028 1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 0.1110 2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7689 2.2510 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7018 1.7290 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3534 0.2726 -2.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 1.7465 -1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0362 0.8610 0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3617 -0.7603 -0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3212 -1.9802 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1503 -1.1064 1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 -1.1241 -1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2642 -3.1193 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -1.9908 1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7773 -3.0395 0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 -1.5380 -2.0395 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 2 5 1 0 5 6 1 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 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 1 15 20 1 0 20 21 1 1 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 18 10 1 0 27 20 1 0 18 13 1 0 29 14 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 3 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 14 52 1 0 15 53 1 0 16 54 1 0 16 55 1 0 17 56 1 0 17 57 1 0 19 58 1 0 19 59 1 0 19 60 1 0 21 61 1 0 21 62 1 0 21 63 1 0 22 64 1 0 22 65 1 0 23 66 1 0 23 67 1 0 24 68 1 1 25 69 1 0 26 70 1 0 26 71 1 0 27 72 1 0 28 73 1 0 28 74 1 0 29 75 1 1 30 76 1 0 M END