86957 Mrv1652304222010582D 12 12 0 0 1 0 999 V2000 3.0179 1.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 -1.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 2.0113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 0.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7324 -0.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7324 0.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0179 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0179 -1.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 -1.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7324 -1.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 9 1 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 M END > FDB022222 > foodb > OC(C(O)=O)C1=CC(O)=CC=C1 > InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) > OLSDAJRAVOVKLG-UHFFFAOYSA-N > C8H8O4 > 168.1467 > 168.042258744 > 4 > 20 > 15.549898712046303 > 1 > 3 > 0 > 1 > 2-hydroxy-2-(3-hydroxyphenyl)acetic acid > 0.89 > 0.5922703229999999 > -1.20 > 0 > 1 > -1 > 9.370825435875659 > 3.303530000093164 > -4.132531240571596 > 77.75999999999999 > 40.6847 > 2 > 1 > 1.05e+01 g/l > MHMA > 0 > FDB022222 > 3-Hydroxymandelic acid $$$$