14 14 0 0000 0 0 0 0 0999 V2000 2.2976 -5.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.6298 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.7717 -3.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.9205 -1.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.4464 -1.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2976 -3.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6229 -1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4464 -3.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1488 -3.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2976 -1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1488 -1.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7717 -1.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1350 -5.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 1 14 1 0 2 8 1 0 3 10 1 0 4 13 2 0 5 13 1 0 6 8 1 0 6 9 1 0 6 11 2 0 7 9 2 0 7 10 1 0 8 13 1 0 10 12 2 0 11 12 1 0 M END > InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) > CGQCWMIAEPEHNQ-UHFFFAOYSA-N > 1/1/N:14,11,12,9,6,10,7,8,13,3,2,4,5,1/E:(12,13)/rA:14nOOOOOCCCCCCCCC/rB:;;;;;s1;s2s6;s6d7;s3s7;d6;d10s11;d4s5s8;s1;/rC:2.2976,-5.308,0;4.6298,0,0;0,-3.9793,0;5.7717,-3.3149,0;6.9205,-1.3218,0;3.4464,-1.9862,0;2.2976,-3.9793,0;4.6229,-1.3218,0;3.4464,-3.3149,0;1.1488,-3.3149,0;2.2976,-1.3218,0;1.1488,-1.9862,0;5.7717,-1.9862,0;1.135,-5.9793,0; > C9 H10 O5 > 198.1727 > O(C)C1C(=CC=C(C=1)C(C(O)=O)O)O > 1207 $$$$