445154 -OEChem-10051720003D 29 30 0 0 0 0 0 0 0999 V2000 -4.8060 -2.1619 -0.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 2.4953 0.3775 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2037 -0.3631 0.0735 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7324 -0.2540 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1022 0.2574 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2763 -0.4793 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 0.4755 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 1.0281 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -1.3290 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 -1.1159 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6023 1.2414 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -0.8654 0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 1.1719 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4698 0.1693 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 -1.0739 0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3451 0.9632 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -0.1596 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 -1.5130 0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3752 1.4977 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 1.8840 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1858 -2.3318 -0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9849 -1.5927 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5852 2.0524 -1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5451 0.3285 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3829 -1.9498 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0137 1.6788 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2831 -2.9751 -0.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0717 2.4585 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 -1.1862 0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 27 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 3 17 1 0 0 0 0 3 29 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 12 2 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 16 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 M END > DB02709 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LUKBXSAWLPMMSZ-OWOJBTEDSA-N/SDF?record_type=3d > OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 > InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ > LUKBXSAWLPMMSZ-OWOJBTEDSA-N > C14H12O3 > 228.247 > 228.078644246 > 3 > 29 > 24.551069139354432 > 1 > 3 > 0 > 1 > 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol > 2.57 > 3.4023908863333325 > -3.52 > 0 > 2 > 0 > 9.12809455952825 > 8.493489164415605 > -6.178025720766969 > 60.69 > 67.4555 > 2 > 1 > 6.88e-02 g/l > resveratrol > 0 $$$$