11742 -OEChem-10051720523D 32 33 0 0 0 0 0 0 0999 V2000 4.5583 -1.3740 0.0903 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4409 1.2402 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 0.5147 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 0.2828 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 2.1849 1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5618 2.2375 -1.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1889 -0.3402 1.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 0.7924 -0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6992 -0.5967 -1.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5353 0.2673 0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4252 -0.9860 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0439 0.1465 -0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7676 -1.4918 -1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6036 -0.6278 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3527 -0.7426 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 -1.5073 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4655 2.8451 1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2981 2.8295 1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3668 1.6312 2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5328 2.7498 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2043 3.0220 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 1.7388 -2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4747 -0.5427 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6255 1.4663 -1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 -0.6062 -1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4932 0.9293 1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -1.6776 1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7627 0.3386 -1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8576 -2.1774 -2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3456 -0.6405 1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5514 -2.2043 -0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6014 -1.9512 0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 8 12 2 0 0 0 0 8 24 1 0 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 10 14 2 0 0 0 0 10 26 1 0 0 0 0 11 15 2 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 13 16 2 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 16 31 1 0 0 0 0 M END > DB06902 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QBDSZLJBMIMQRS-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 > InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3 > QBDSZLJBMIMQRS-UHFFFAOYSA-N > C15H16O > 212.2869 > 212.120115134 > 1 > 32 > -0.0008367967336380181 > 24.434621506879317 > 1 > 1 > 0 > 1 > 4-(2-phenylpropan-2-yl)phenol > 4.70 > 4.348540737666667 > -4.01 > 0 > 0 > 2 > 0 > 10.077016455362044 > -5.46021182495171 > 20.23 > 77.29420000000002 > 2 > 1 > 2.09e-02 g/l > tetrahydrofolic acid > 1 $$$$