6919011 -OEChem-10051719573D 23 23 0 1 0 0 0 0 0999 V2000 -2.2712 -1.3357 -0.7762 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8397 -1.3135 1.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 1.4553 -0.1322 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7565 0.7260 0.2560 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6709 1.0989 -0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6837 0.5384 -0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 1.2882 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -0.7147 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9804 -0.7920 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 0.7708 0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2979 -1.2323 -0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1688 -0.4894 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4959 1.1081 1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 2.1918 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9429 0.7578 -1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 1.1764 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8602 2.4738 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7675 1.2633 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2494 2.2694 0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3859 -1.2994 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4665 1.3489 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 -2.2123 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1431 -0.8921 0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 2 0 0 0 0 8 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 M CHG 2 1 -1 3 1 M END > DB02556 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/COLNVLDHVKWLRT-MRVPVSSYSA-N/SDF?record_type=3d > N[C@H](CC1=CC=CC=C1)C(O)=O > InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1 > COLNVLDHVKWLRT-MRVPVSSYSA-N > C9H11NO2 > 165.1891 > 165.078978601 > 3 > 23 > -0.0035311057069575824 > 17.13388689151298 > 1 > 2 > 0 > 0 > (2R)-2-amino-3-phenylpropanoic acid > -1.35 > -1.184438468740489 > -1.60 > 0 > 0 > 1 > 0 > 2.469229772182635 > 9.446936344396194 > 63.32 > 45.11630000000001 > 3 > 1 > 4.14e+00 g/l > tetrahydrofolic acid > 0 $$$$