HMDB0259664 RDKit 3D Pregn-4-ene-3,20-dione, 11,17,18,21-tetrahydroxy-, (11beta)- 57 61 0 0 0 0 0 0 0 0999 V2000 -2.9241 -0.0472 -1.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 -0.3489 -0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4366 -1.6035 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0306 -1.7205 1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9041 -0.5377 1.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0701 -0.6711 1.8451 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2828 0.7536 1.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 0.8252 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 2.1721 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1302 2.0663 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6497 0.9003 -0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2488 -0.3282 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4782 -1.5360 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2351 -1.6516 -1.7531 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8924 -1.3521 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5925 -0.2612 -0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -0.8584 -1.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6864 -0.7968 -1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8642 -0.6285 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8305 -1.8189 0.7506 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 0.0942 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1806 -0.7189 -0.3014 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 0.2324 0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4154 0.1135 1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8639 1.6674 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 2.0878 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8036 0.9102 -0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8618 -0.5712 -2.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1204 -0.4501 -2.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1337 1.0216 -2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3317 -1.6530 -0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8522 -2.5022 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6131 -2.6711 1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 -1.7005 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6469 1.6561 1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 2.6268 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9674 2.8839 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7118 2.9943 -0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 1.8728 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1569 1.0982 -1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1977 -0.2258 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8562 -2.4832 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7734 -2.4087 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4471 -2.3098 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7309 -1.0697 1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -0.3553 -2.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0842 -1.9389 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 -2.1322 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 1.0863 -0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3543 0.2566 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5821 -1.2341 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3839 0.9737 2.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3147 1.6807 -0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 2.3146 0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 2.1002 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3035 3.0327 -0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 1.1641 -1.8888 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 1 0 5 6 2 0 5 7 1 0 7 8 2 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 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 19 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 8 2 1 0 27 11 1 0 12 2 1 0 23 16 1 0 27 16 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 7 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 17 46 1 0 17 47 1 0 20 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 24 52 1 0 25 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 27 57 1 0 M END