RInChI=1.00.1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)!C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)<>C4H7NO4.C3H6O3/c5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h2H,1,5H2,(H,6,7)(H,8,9);2,4H,1H3,(H,5,6)<>4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4/d+
RAuxInfo=1.00.1/1/N:1,2,3,4,5,6/E:(5,6)/rA:6CCCOOO/rB:s1;s2;s2;d3;s3;/rC:;;;;;;!1/N:1,2,3,4,5,6,7,8,9/E:(6,7)(8,9)/rA:9CCCCNOOOO/rB:s1;s1;s2;s2;d3;s3;d4;s4;/rC:;;;;;;;;;<>1/N:1,2,3,4,5,6,7,8,9;10,11,12,13,14,15/E:(6,7)(8,9);(5,6)/rA:15CCCCNOOOOCCCOOO/rB:s1;s1;s2;s2;d3;s3;d4;s4;;s10;s11;s11;d12;s12;/rC:;;;;;;;;;;;;;;;<>0/N:1,2,3,4;5,6,7,8;9,10,11,12;13,14,15,16;17/E:4*(1,2);/CRV:4*4-1;/rA:17CCCO-CCCO-CCCO-CCCO-Ti+4/rB:;s1s2;s3;;;s5s6;s7;;;s9s10;s11;;;s13s14;s15;;/rC:;;;;;;;;;;;;;;;;;
Long-RInChIKey=SA-FUHFF-JVTAAEKCZFNVCJ-UHFFFAOYSA-N-CKLJMWTZIZZHCS-UHFFFAOYSA-N--QRSQKPJHPINJGJ-UHFFFAOYSA-N--VXUYXOFXAQZZMF-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-PEAVOVZNIL-QRSQKPJHPI-VXUYXOFXAQ-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=PEIMPVFGVVZKAUNNA-NUHFFFADPSCTJSA