RInChI=1.00.1S/C13H15NO3/c1-13-9-14(7-11(13)17-13)12(15)16-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3!H3N.H2O/h1H3;1H2<>C13H18N2O3/c1-13(17)9-15(7-11(13)14)12(16)18-8-10-5-3-2-4-6-10/h2-6,11,17H,7-9,14H2,1H3<>C4H8O2/c1-2-6-4-3-5-1/h1-4H2/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:(3,4)(5,6)/rA:17CCCCCCCCCCCCCNOOO/rB:;d2;s2;s3;d4;;;;d5s6s8;s7;;s1s9s11;s7s9s12;d12;s8s12;s11s13;/rC:;;;;;;;;;;;;;;;;;!0/N:1;2/rA:2NO/rB:;/rC:;;<>0/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:18CCCCCCCCCCCCCNNOOO/rB:;d2;s2;s3;d4;;;;d5s6s8;s7;;s1s9s11;s11;s7s9s12;d12;s13;s8s12;/rC:;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6/E:(1,2,3,4)(5,6)/rA:6CCCCOO/rB:s1;;s3;s1s3;s2s4;/rC:;;;;;;
Long-RInChIKey=SA-FUHFF-PISIBPWFYVIAFX-UHFFFAOYSA-N-VHUUQVKOLVNVRT-UHFFFAOYSA-N--KMJJAOJVBXTTSK-UHFFFAOYSA-N--RYHBNJHYFVUHQT-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-CCWPSUQGWV-KMJJAOJVBX-RYHBNJHYFV-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=HKJOWAUKZHHKCUYLE-NUHFFFADPSCTJSA