RInChI=1.00.1S/C10H11NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6,11H2!C10H15N6O.F6P/c1-14(2)10(15(3)4)17-16-9-8(12-13-16)6-5-7-11-9;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1!C11H8FNO3/c12-8-3-1-2-7(4-8)5-9-6-10(11(14)15)13-16-9/h1-4,6H,5H2,(H,14,15)!C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3<>C21H17FN2O3/c22-16-5-3-4-14(10-16)11-17-12-19(24-27-17)21(25)23-9-8-15-13-26-20-7-2-1-6-18(15)20/h1-7,10,12-13H,8-9,11H2,(H,23,25)<>C3H7NO/c1-4(2)3-5/h3H,1-2H3/d+

RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12/rA:12CCCCCCCCCCNO/rB:d1;s1;s2;;s5;;s5d7;d3s8;d4s9;s6;s7s10;/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/E:(1,2,3,4)(14,15);(1,2,3,4,5,6)/CRV:17+1;7-1/rA:24CCCCCCCCCCNNNNNNO+FFFFFFP-/rB:;;;;d5;s5;s6;d8;;d7s9;s8;d12;s1s2s10;s3s4s10;s9s13;d10s16;;;;;;;s18s19s20s21s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16/E:(14,15)/rA:16CCCCCCCCCCCFNOOO/rB:d1;s1;;;;s2d4s5;d3s4;s5d6;s6;s10;s8;d10;s11;d11;s9s13;/rC:;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9/E:(2,3,4,5)(7,8)/rA:9CCCCCCCCN/rB:;;;;s1;s2s3;s4s5;s6s7s8;/rC:;;;;;;;;;<>1/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/rA:27CCCCCCCCCCCCCCCCCCCCCFNNOOO/rB:d1;;d3;s3;s1;s2;;s8;;;;;s4d10s11;s8d13;d5s10;s11d12;d6s15;s12;d7s18;s19;s16;s9s21;d19;d21;s13s20;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)/rA:5CCCNO/rB:;;s1s2s3;d3;/rC:;;;;;

Long-RInChIKey=SA-FUHFF-NEHYFMQXSNIAMZ-UHFFFAOYSA-N-JNWBBCNCSMBKNE-UHFFFAOYSA-N-RCWFGQDWWLKSIP-UHFFFAOYSA-N-JGFZNNIVVJXRND-UHFFFAOYSA-N--IZQMKWHXYVELKU-UHFFFAOYSA-N--ZMXDDKWLCZADIW-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-LVOQRYDWAG-IZQMKWHXYV-ZMXDDKWLCZ-NUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=OGKSYSTWAYCEHPNBU-NUHFFFADPSCTJSA