12192007 -OEChem-10051720273D 27 28 0 1 0 0 0 0 0999 V2000 -3.0481 -1.5797 0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 -0.4548 -1.0338 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 1.8695 0.0363 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7893 0.3913 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 1.4699 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1476 -0.9718 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5198 0.7352 0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -0.6466 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 0.5729 0.4178 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7990 1.2646 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3728 -1.5281 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1051 -0.5035 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8773 0.3838 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6657 -1.0027 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8881 0.4420 -1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 1.7691 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1814 2.3489 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4455 -1.7443 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 -1.2968 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 0.5387 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9654 2.3350 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2122 -2.6004 -0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 2.6188 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6063 2.0038 0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8909 0.7739 -0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 -1.6729 -0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6514 -2.2965 0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 27 1 0 0 0 0 2 12 2 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > DB04061 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GUDHMDVRURNAHL-SNVBAGLBSA-N/SDF?record_type=3d > [H][C@@](N)(C1CC2=CC=CC=C2C1)C(O)=O > InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m1/s1 > GUDHMDVRURNAHL-SNVBAGLBSA-N > C11H13NO2 > 191.2264 > 191.094628665 > 3 > 27 > -0.002700809568743079 > 20.517793078925116 > 1 > 2 > 0 > 0 > (2R)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid > -1.30 > -0.770005301135446 > -2.00 > 0 > 0 > 2 > 0 > 2.3985710375166156 > 9.56331610106402 > 63.32000000000001 > 52.8269 > 2 > 1 > 1.90e+00 g/l > biotin > 0 $$$$