11998575 -OEChem-10051722533D 52 55 0 1 0 0 0 0 0999 V2000 1.8104 2.0149 0.1835 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4369 0.0373 1.0301 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2886 -2.4913 1.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0778 0.1256 0.4689 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7898 3.0697 -0.2243 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4730 -0.1028 -0.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 -0.4864 0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6822 -0.4175 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8519 0.7024 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 -0.5313 -0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 0.8349 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2365 0.6795 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 -1.6955 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3908 -0.5547 -0.5882 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8526 -1.5305 0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2279 -1.7182 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1789 2.0232 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3056 1.0035 0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1013 -0.1155 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 -1.3816 0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 0.0976 -1.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 1.1586 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5059 0.8235 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4694 1.0964 1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8605 0.2423 -1.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8611 -3.1017 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8055 0.7839 0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1965 -0.0700 -1.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1690 0.2008 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7757 -0.6973 -1.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 1.6091 -0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3582 -2.6533 0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7581 -1.5879 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 -2.5398 0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7419 -2.6756 -0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 2.0139 0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8554 -0.0093 -2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2474 -0.3618 -2.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5743 1.1739 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5968 1.4280 -0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0028 2.0263 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0306 0.0692 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1972 1.5484 2.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1099 0.0242 -1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4492 -3.9645 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 -2.4015 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0762 -3.4486 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5586 0.9968 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4092 -0.5220 -2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2919 -1.6737 -1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5420 -0.0216 -2.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8564 -0.8714 -1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 20 1 0 0 0 0 3 26 1 0 0 0 0 4 14 1 0 0 0 0 4 42 1 0 0 0 0 5 17 2 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 15 2 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 18 2 0 0 0 0 12 31 1 0 0 0 0 13 16 2 0 0 0 0 13 32 1 0 0 0 0 14 21 1 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 43 1 0 0 0 0 25 28 2 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END > DB12812 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YEAHTLOYHVWAKW-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(COC2=C(OC)C=C3C(OC(=O)C4=CC(=CC=C34)C(C)O)=C2)C=C1 > InChI=1S/C24H22O6/c1-14(25)16-6-9-18-19-11-22(28-3)23(12-21(19)30-24(26)20(18)10-16)29-13-15-4-7-17(27-2)8-5-15/h4-12,14,25H,13H2,1-3H3 > YEAHTLOYHVWAKW-UHFFFAOYSA-N > C24H22O6 > 406.434 > 406.141638428 > 5 > 52 > 44.230405215756164 > 1 > 1 > 0 > 1 > 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one > 4.02 > 3.8260120189999993 > -5.07 > 1 > 4 > 0 > 14.58929385317781 > -2.978442868620025 > 74.22000000000001 > 112.176 > 6 > 1 > 3.43e-03 g/l > 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one > 0 $$$$