131770047 CDK 1202211638 32 34 0 0 0 0 0 0 0 0999 V2000 3.0789 -2.8380 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 2.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -2.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -3.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -3.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -2.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 2.1120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 3.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 3.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 3.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 2 21 1 0 0 0 0 2 30 1 0 0 0 0 3 26 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 22 1 0 0 0 0 15 23 2 0 0 0 0 17 24 1 0 0 0 0 18 25 2 0 0 0 0 19 27 1 0 0 0 0 20 28 2 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 M END > CHEBI:186521 > Endoxifen sulfate > 2 > [4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] hydrogen sulate > C25H27NO5S > 453.550 > 453.16099 > 0 > S(OC1=CC=C(\C(=C(/CC)\C2=CC=CC=C2)\C3=CC=C(OCCNC)C=C3)C=C1)(O)(=O)=O > InChI=1S/C25H27NO5S/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(14-10-20)30-18-17-26-2)21-11-15-23(16-12-21)31-32(27,28)29/h4-16,26H,3,17-18H2,1-2H3,(H,27,28,29)/b25-24+ > DHSITAIKYQFMGG-OCOZRVBESA-N $$$$