ChEBI Marvin 12220614372D 36 40 0 0 1 0 999 V2000 29.9102 -10.5179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.1884 -10.1160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.9137 -11.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4807 -10.5285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.1849 -9.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1990 -11.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4913 -11.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7695 -10.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4771 -9.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8960 -8.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6001 -8.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7766 -11.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0547 -10.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0583 -11.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3223 -11.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9031 -9.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.1813 -10.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6108 -10.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6073 -9.2910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.6144 -10.1089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.4012 -10.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8804 -9.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3896 -9.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 33.0321 -8.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7465 -7.8198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.3176 -7.8198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.6031 -8.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0321 -6.5822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 33.0321 -5.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3176 -6.9947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.6031 -6.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7465 -6.9947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 34.4610 -6.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1755 -7.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4610 -8.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4610 -9.0573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 3 1 0 0 0 0 1 16 1 1 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 17 1 6 0 0 0 20 18 1 6 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 1 0 0 0 5 10 1 0 0 0 0 19 11 1 1 0 0 0 19 10 1 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 23 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 23 22 1 0 0 0 0 21 22 1 0 0 0 0 23 27 1 1 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 32 1 0 0 0 0 32 28 1 0 0 0 0 28 30 1 0 0 0 0 30 26 1 0 0 0 0 25 35 1 1 0 0 0 26 27 1 1 0 0 0 28 29 1 1 0 0 0 30 31 1 6 0 0 0 32 33 1 6 0 0 0 35 34 1 0 0 0 0 35 36 2 0 0 0 0 M END > CHEBI:28835 > testosterone 17-glucosiduronic acid > A steroid glucosiduronic that is testosterone carrying a glucosiduronic acid residue at position 17. > 3 > CHEBI:9465; CHEBI:26885 > testosterone glucuronoside; Testosterone glucuronide; Testosterone 17beta-(beta-D-glucuronide) > 3-oxoandrost-4-en-17beta-yl beta-D-glucopyranosiduronic acid > C25H36O8 > 464.54854 > 464.24102 > 0 > [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O > InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1 > NIKZPECGCSUSBV-HMAFJQTKSA-N > 1180-25-2 > 65197 > C11134 > LMST05010012 > 22770225 $$$$