RInChI=1.00.1S/C12H13NO4/c14-11-8-16-7-10(11)13-12(15)17-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)!CH3.BrH.Mg/h1H3;1H;/q;;+1/p-1!CH4/h1H4<>C13H17NO4/c1-13(16)9-17-8-11(13)14-12(15)18-7-10-5-3-2-4-6-10/h2-6,11,16H,7-9H2,1H3,(H,14,15)<>C4H8O/c1-2-4-5-3-1/h1-4H2/d+
RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17/E:(2,3)(4,5)/rA:17CCCCCCCCCCCCNOOOO/rB:d1;s1;s2;d3;;;;d4s5s6;s7;s8s10;;s10d12;d11;s12;s7s8;s6s12;/rC:;;;;;;;;;;;;;;;;;!1/N:1;2;3/CRV:1.3;;/rA:3C3Br-Mg0+/rB:;;/rC:;;;!0/N:1/rA:1C/rB:/rC:;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18/E:(3,4)(5,6)/rA:18CCCCCCCCCCCCCNOOOO/rB:;d2;s2;s3;d4;;;;d5s6s7;s8;;s1s9s11;s11d12;s12;s13;s8s9;s7s12;/rC:;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-AWXKVKOGYYLMEL-UHFFFAOYSA-N-AVFUHBJCUUTGCD-UHFFFAOYSA-M-VNWKTOKETHGBQD-UHFFFAOYSA-N--IFDSBXWHYNZSAM-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-YHXQSIAENR-IFDSBXWHYN-WYURNTSHIV-MUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=YAOFMDFWLZBCDDDLC-MUHFFFADPSCTJSA