Marvin 02060712342D 34 37 0 0 1 0 999 V2000 -2.1733 -0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -1.6509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1733 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -0.8118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7587 0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 0.3930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6718 -0.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4565 -0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9228 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 0.6494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6718 1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -1.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 1.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6291 -2.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -0.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7587 -1.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -0.8118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0279 0.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 1.4968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0289 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 1.4968 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0289 1.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -1.6509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6866 -2.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 10 1 0 0 0 0 14 10 1 0 0 0 0 9 10 1 0 0 0 0 10 15 1 1 0 0 0 23 11 1 0 0 0 0 12 11 1 0 0 0 0 11 17 1 6 0 0 0 8 20 1 0 0 0 0 7 20 1 0 0 0 0 23 20 1 0 0 0 0 33 23 1 0 0 0 0 5 7 1 0 0 0 0 7 16 1 1 0 0 0 1 7 1 0 0 0 0 13 14 1 0 0 0 0 29 14 1 0 0 0 0 14 18 1 6 0 0 0 8 9 1 0 0 0 0 13 12 1 0 0 0 0 6 33 1 0 0 0 0 4 5 1 0 0 0 0 6 5 2 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 3 19 1 1 0 0 0 20 21 1 6 0 0 0 29 22 1 6 0 0 0 23 24 1 1 0 0 0 28 25 1 0 0 0 0 26 25 1 0 0 0 0 31 26 1 0 0 0 0 27 31 1 0 0 0 0 30 31 1 0 0 0 0 28 29 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 6 0 0 0 M END > CHEBI:37623 > 7alpha,25-dihydroxycholesterol > 3 > CHEBI:58676 > Cholest-5-ene-3beta,7alpha,25-triol; 7-alpha,25-dihydroxycholesterol; 7alpha,25-Dihydroxycholesterol; 5-Cholesten-3beta,7alpha,25-triol; 3beta,7alpha,25-Trihydroxycholest-5-ene > cholest-5-ene-3beta,7alpha,25-triol > C27H46O3 > 418.65234 > 418.34470 > 0 > [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O > InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1 > BQMSKLCEWBSPPY-IKVTXIKFSA-N > C15520 $$$$