Ketcher 03302315122D 1 1.00000 0.00000 0 30 33 0 1 0 999 V2000 6.6247 -7.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7587 -7.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6247 -6.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4908 -5.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4908 -7.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3568 -7.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2229 -7.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0888 -7.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0888 -6.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9548 -5.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9059 -5.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4936 -5.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9059 -4.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9548 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0888 -4.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2229 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3568 -4.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2229 -5.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3568 -6.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3568 -5.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2229 -6.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0888 -5.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9548 -6.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9548 -3.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0888 -3.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9059 -3.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7719 -2.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6379 -3.3069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0399 -2.8069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8570 -3.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 1 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 10 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 1 0 0 16 18 1 0 0 0 9 18 1 0 0 0 18 19 1 0 0 0 4 19 1 0 0 0 6 19 1 0 0 0 19 20 1 1 0 0 18 21 1 6 0 0 9 22 1 1 0 0 10 23 1 6 0 0 14 24 1 1 0 0 24 25 2 0 0 0 13 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 26 29 2 0 0 0 13 30 1 6 0 0 M END > CHEBI:89213 > 18-oxocortisol > A steroid aldehyde that is cortisol carrying a formyl group at position 18. > 3 > 4-pregnene-11beta,17alpha,21-triol-3,20-dione-18-al; 18-oxocortisol; 18-oxo-cortisol; (11beta,17alpha)-11,17,18,21-tetrahydroxypregn-4-ene-3,20-dione-18-al; (11beta)-11,17,21-trihydroxy-3,20-dioxopregn-4-en-18-al > 11beta,17,21-trihydroxy-3,20-dioxopregn-4-en-18-al > C21H28O6 > 376.449 > 376.18859 > 0 > [H][C@@]12CC[C@](O)(C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O > InChI=1S/C21H28O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,11,14-16,18,22,25,27H,2-7,9-10H2,1H3/t14-,15-,16-,18+,19-,20+,21-/m0/s1 > XUQWWIFROYJHCU-UKSDXMLSSA-N > 2410-60-8 > LMST02030296 > 10778083; 12429142; 15356073; 16149517; 20963880; 21593107; 21691306; 22238407; 2539538; 25776074; 2811370; 2842358; 28904009; 30571232; 31006333; 3320570; 34871919; 35870737; 3613577; 3669665; 36921907; 3957417; 6602132; 8013138; 8038908; 8516344; 8753282; 8800594; 9279964; 9814482; 9831489 $$$$