13955650 CDK 1019211303 32 35 0 0 0 0 0 0 0 0999 V2000 5.1024 -3.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -2.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 1.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5762 3.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2180 4.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 2.4724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8268 -1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 -1.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 -0.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3549 -2.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8268 -0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 -1.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8033 -0.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -3.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 -3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -2.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3855 0.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 1.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6418 1.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 1.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 2.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7689 3.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 26 1 0 0 0 0 3 30 2 0 0 0 0 4 32 1 0 0 0 0 5 32 2 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 24 1 0 0 0 0 12 18 1 0 0 0 0 12 23 1 0 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 20 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 25 26 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:181126 > Hyodeoxycholylglycine > 2 > 2-[4-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid > C26H43NO5 > 449.632 > 449.31412 > 0 > OC1C2C(C3C(C4C(C(CC4)C(CCC(=O)NCC(O)=O)C)(CC3)C)C1)(CCC(O)C2)C > InChI=1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32) > SPOIYSFQOFYOFZ-UHFFFAOYSA-N $$$$