Mrv1652304222011142D 12 12 0 0 1 0 999 V2000 4.0108 -3.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 -3.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 -3.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 -2.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 -1.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 -0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1279 -1.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -2.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0108 -2.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8334 -2.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 -1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > FDB022236 > foodb > OC(CC1=CC=CC=C1)C(O)=O > InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) > VOXXWSYKYCBWHO-UHFFFAOYSA-N > C9H10O3 > 166.1739 > 166.062994186 > 3 > 22 > 16.69530388015452 > 1 > 2 > 0 > 1 > 2-hydroxy-3-phenylpropanoic acid > 0.84 > 1.1844968496666666 > -1.23 > 0 > 1 > -1 > 14.19195842902614 > 4.020980916532307 > -3.837374293517553 > 57.53 > 43.458800000000004 > 3 > 1 > 9.80e+00 g/l > β-phenyllactic acid > 0 > FDB022236 > Phenyllactic acid $$$$