7708 -OEChem-02282018033D 18 18 0 0 0 0 0 0 0999 V2000 1.8607 0.0001 -0.6703 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8847 0.0000 0.4537 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3145 -0.0002 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 -0.0002 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0002 1.2079 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 -1.2082 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3717 1.2081 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -1.2079 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0575 0.0003 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 0.0002 -0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 0.8848 1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -0.8855 1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 2.1556 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4773 -2.1561 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9056 2.1487 -0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9061 -2.1483 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1253 0.0004 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 0.0004 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 M END > DB04569 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UYWQUFXKFGHYNT-UHFFFAOYSA-N/SDF?record_type=3d > O=COCC1=CC=CC=C1 > InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2 > UYWQUFXKFGHYNT-UHFFFAOYSA-N > C8H8O2 > 136.1479 > 136.0524295 > 1 > 18 > 0.0 > 13.974951771990733 > 1 > 0 > 0 > 0 > benzyl formate > 1.72 > 1.598322751 > -1.79 > 0 > 0 > 1 > 0 > -6.828325944213134 > 26.3 > 37.53490000000001 > 3 > 1 > 2.20e+00 g/l > L-saccharopine > 1 $$$$