76883 -OEChem-10051720133D 23 23 0 0 0 0 0 0 0999 V2000 -0.1852 1.8684 0.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -0.5111 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3796 0.6471 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 0.5569 -0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8267 -0.4361 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 -1.7597 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -0.6916 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5373 -1.8498 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 1.7854 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7481 -0.3268 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 0.7173 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1039 -1.3357 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 0.3916 1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3915 -2.6709 0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 -0.7798 -0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9878 -2.8221 -0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1559 2.4358 -1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6116 2.3344 0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5894 1.5413 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7668 -1.1612 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 2.5839 0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1969 0.7293 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5772 1.5724 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M END > DB03301 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WREVCRYZAWNLRZ-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=CC(CC=C)=C1O > InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3 > WREVCRYZAWNLRZ-UHFFFAOYSA-N > C10H12O > 148.2017 > 148.088815006 > 1 > 23 > -0.002010146061930062 > 16.89433242917345 > 1 > 1 > 0 > 0 > 2-methyl-6-(prop-2-en-1-yl)phenol > 2.72 > 3.2816726166666665 > -2.04 > 0 > 0 > 1 > 0 > 9.695898510632546 > -5.9938955219754 > 20.23 > 47.367399999999996 > 2 > 1 > 1.35e+00 g/l > biotin > 1 $$$$