Marvin 03131311222D 34 37 0 0 1 0 999 V2000 8.7196 -5.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9970 -5.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9970 -6.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7196 -6.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4192 -6.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1339 -6.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4192 -5.6592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8648 -4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5644 -4.4545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5644 -5.2626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3489 -5.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3489 -4.1982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5644 -3.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4192 -4.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5644 -6.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2639 -6.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1339 -5.2626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8648 -5.6592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8648 -4.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8648 -6.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0634 -2.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3489 -3.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1339 -6.0874 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1339 -4.4545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4195 -4.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8153 -4.8663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6401 -4.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0689 -3.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6345 -2.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7778 -3.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4923 -2.9384 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.2066 -3.3509 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.4922 -2.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4923 -3.7633 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 3 16 2 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 6 5 1 0 0 0 0 6 20 1 0 0 0 0 7 17 1 0 0 0 0 7 14 1 1 0 0 0 8 9 1 0 0 0 0 24 8 1 0 0 0 0 10 9 1 0 0 0 0 12 9 1 0 0 0 0 9 13 1 1 0 0 0 18 10 1 0 0 0 0 11 10 1 0 0 0 0 10 15 1 6 0 0 0 26 11 1 0 0 0 0 26 12 1 0 0 0 0 22 12 1 0 0 0 0 12 28 1 6 0 0 0 24 17 1 0 0 0 0 18 17 1 0 0 0 0 17 23 1 6 0 0 0 20 18 1 0 0 0 0 18 19 1 1 0 0 0 21 30 1 0 0 0 0 21 22 1 0 0 0 0 22 29 2 0 0 0 0 24 25 1 1 0 0 0 26 27 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 M CHG 2 32 -1 34 -1 M END > CHEBI:68604 > betamethasone phosphate(2-) > A steroid phosphate oxoanion which is the dianion obtained by the deprotonation of the phosphate OH groups of betamethasone phosphate. > 3 > (11beta,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl phosphate > C22H28FO8P > 470.42510 > 470.15168 > -2 > [H][C@@]12C[C@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C > InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/p-2/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1 > VQODGRNSFPNSQE-DVTGEIKXSA-L $$$$