RInChI=1.00.1S/C13H13BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2!C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H!H4N2.H2O/c1-2;/h1-2H2;1H2<>C32H26O3/c33-30-20-28(26-11-15-31(16-12-26)34-22-24-7-3-1-4-8-24)19-29(21-30)27-13-17-32(18-14-27)35-23-25-9-5-2-6-10-25/h1-21,33H,22-23H2<>C4H8O/c1-2-4-5-3-1/h1-4H2!H2O/h1H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17/E:(2,3)(4,5)(6,7)(8,9)(15,16)/rA:17CCCCCCCCCCCCCBOOO/rB:d1;s1;s2;d3;;;s6;d7;;d4s5s10;d6s7;d8s9;s12;s14;s14;s10s13;/rC:;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9/E:(2,3)(4,5)(7,8)/rA:9CCCCCCBrBrO/rB:;;d1s2;s1d3;d2s3;s4;s5;s6;/rC:;;;;;;;;;!0/N:1,2;3/E:(1,2);/rA:3NNO/rB:s1;;/rC:;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16,17,18)(20,21)(22,23)(24,25)(26,27)(28,29)(31,32)(34,35)/rA:35CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOOO/rB:;d1;s1;d2;s2;s3;d4;s5;d6;;;;;s11;d12;s13;d14;;;;;;d7s8s22;d9s10s23;d11s12;d13s14;d19s20s26;s19d21s27;d20s21;d15s16;d17s18;s30;s22s31;s23s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;!0/N:1/rA:1O/rB:/rC:;
Long-RInChIKey=SA-FUHFF-DMJHEIDWSIAXCS-UHFFFAOYSA-N-PZFMWYNHJFZBPO-UHFFFAOYSA-N-IKDUDTNKRLTJSI-UHFFFAOYSA-N--XZECFEBQIUYIEZ-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-KGKDLQPAAR-XZECFEBQIU-VUAZZERDFI-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=ZMRGBLPVYVWYOFOQN-NUHFFFADPSCTJSA