RInChI=1.00.1S/<>C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3!C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/d-
RAuxInfo=1.00.1/<>0/N:1,3,5,2,4,6/E:(1,2)/rA:6nCCCCCO/rB:s1;s2;s2;s4;s4;/rC:5.2741,1.4438,0;5.9886,1.8563,0;6.703,1.4438,0;5.9886,2.6813,0;6.703,3.0938,0;5.2741,3.0938,0;!1/N:3,2,4,1,5,7,6,8,9,10/E:(2,3)(4,5)(9,10)/rA:10nCCCCCCCCOO/rB:d1;s2;d3;s4;s1d5;s6;s7;s8;d8;/rC:-3.8009,2.917,0;-4.5154,2.5045,0;-4.5154,1.6795,0;-3.8009,1.2669,0;-3.0864,1.6795,0;-3.0864,2.5045,0;-2.372,2.917,0;-1.6575,2.5045,0;-.943,2.917,0;-1.6575,1.6795,0;
Long-RInChIKey=SA-BUHFF---MXLMTQWGSQIYOW-UHFFFAOYSA-N-WLJVXDMOQOGPHL-UHFFFAOYSA-N
Short-RInChIKey=SA-BUHFF-UHFFFADPSC-RLJDZPNDNR-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=RLJDZPNDNRCEFOHCO-NUHFFFADPSCTJSA