6852154 -OEChem-10051720563D 39 41 0 1 0 0 0 0 0999 V2000 0.6641 1.2542 0.3746 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8612 1.2522 0.5733 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4795 0.2052 0.5114 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8438 0.2198 -0.1828 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6968 -0.7754 -0.9911 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1644 -0.4925 -1.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 -0.7426 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 0.5916 -0.7202 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0467 1.5083 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 -1.6877 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 0.6027 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6466 -1.6422 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4381 0.4892 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 -2.6584 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 -0.0463 -1.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9085 0.9296 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6849 -0.1413 -1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2664 0.8345 1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1545 0.2991 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2283 -1.2854 -1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6876 -1.4264 -1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2035 0.1341 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -0.1730 1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7247 -1.4023 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 1.2394 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4322 2.0053 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 2.2288 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3327 1.2700 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8867 -0.2839 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6156 -2.3055 2.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4148 -2.1488 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3051 -3.3899 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 -3.2197 -0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5758 2.1812 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9781 -0.3864 -2.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2587 1.3488 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3667 -0.5590 -1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6267 1.1777 2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9451 -0.1884 -0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 34 1 0 0 0 0 3 19 1 0 0 0 0 3 39 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 M END > DB07086 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XXIFNRNIQJKFLP-XHSDSOJGSA-N/SDF?record_type=3d > [H][C@@]12C[C@@](CO)(CO[C@]1([H])C1=CC=C(O)C=C1)CC=C2C > InChI=1S/C16H20O3/c1-11-6-7-16(9-17)8-14(11)15(19-10-16)12-2-4-13(18)5-3-12/h2-6,14-15,17-18H,7-10H2,1H3/t14-,15+,16-/m0/s1 > XXIFNRNIQJKFLP-XHSDSOJGSA-N > C16H20O3 > 260.3282 > 260.141244506 > 3 > 39 > -0.003361772414931084 > 28.55237328151688 > 1 > 2 > 0 > 1 > 4-[(1S,2S,5S)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol > 2.04 > 2.1450481556666667 > -3.36 > 0 > 0 > 3 > 0 > 15.028773522134788 > 9.471970423139501 > -2.786214988480536 > 49.69 > 74.73160000000003 > 2 > 1 > 1.13e-01 g/l > tetrahydrofolic acid > 0 $$$$