Marvin 03100814072D 38 41 0 0 1 0 999 V2000 5.1383 -4.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1383 -4.9052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8527 -3.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8527 -5.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2817 -5.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5672 -4.0802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2817 -3.6677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9961 -4.0802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9961 -4.9052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5672 -4.9052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2817 -2.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4952 -3.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9802 -3.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5672 -3.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2817 -4.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9961 -3.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -3.6677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7106 -2.8427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7106 -2.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -4.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -5.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4238 -5.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5672 -5.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7808 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4952 -1.7628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2097 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9242 -1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3531 -2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3531 -1.7628 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0676 -0.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0676 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7821 -1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4952 -2.5878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2097 -2.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6387 -1.3503 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6387 -0.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9961 -2.4302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9961 -1.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 0 0 0 0 2 22 1 6 0 0 0 2 4 1 0 0 0 0 6 3 1 0 0 0 0 10 4 1 0 0 0 0 5 9 1 0 0 0 0 10 5 1 0 0 0 0 6 14 1 1 0 0 0 7 6 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 6 0 0 0 8 7 1 0 0 0 0 17 8 1 0 0 0 0 8 16 1 1 0 0 0 8 9 1 0 0 0 0 9 21 1 6 0 0 0 10 23 1 1 0 0 0 11 37 1 0 0 0 0 17 12 1 0 0 0 0 13 12 1 0 0 0 0 13 33 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 6 0 0 0 18 33 1 0 0 0 0 18 37 1 0 0 0 0 18 19 1 1 0 0 0 33 25 1 0 0 0 0 25 24 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 35 1 0 0 0 0 35 29 1 0 0 0 0 29 28 1 0 0 0 0 29 31 1 0 0 0 0 31 30 2 0 0 0 0 31 32 1 0 0 0 0 33 34 1 6 0 0 0 35 36 1 0 0 0 0 37 38 1 6 0 0 0 M END > CHEBI:48742 > 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid > 3 > 3alpha,7alpha,12alpha,24xi-tetrahydroxy-5beta-cholestan-26-oic acid; 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoic acid > 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid > C27H46O6 > 466.65054 > 466.32944 > 0 > [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)C(C)C(O)=O > InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16+,17-,18-,19+,20+,21?,22-,23+,24+,26+,27-/m1/s1 > FAYYTQMQTAKHRM-QDVPYJSNSA-N > 5774876 > LMST04030067 $$$$