HMDB0250074 RDKit 3D 2H-1-Benzopyran-7-ol, 3-(4-methoxyphenyl)-4-((4-(2-(1-piperidinyl)ethoxy)phen... 68 72 0 0 0 0 0 0 0 0999 V2000 6.4973 -5.2554 2.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2674 -4.5804 2.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0632 -3.3030 2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0569 -2.6372 1.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8397 -1.3832 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 -0.7225 0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4346 0.6291 0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 0.9891 -0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4196 0.0255 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 0.3428 -0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 0.8672 0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6364 1.0841 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6986 0.7863 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9399 1.0501 0.8267 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2041 0.8982 0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6714 -0.4819 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0209 -0.5612 -0.4877 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0392 -0.2027 0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3614 -0.0004 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4702 -0.8925 -1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7749 -2.1922 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3005 -1.9390 -0.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3418 0.2589 -0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 0.0428 -1.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3618 2.3634 -0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3663 2.8395 -1.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3122 4.1414 -2.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2763 5.0502 -1.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2053 6.3651 -2.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 4.6162 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 3.3163 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 2.8870 0.3741 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 1.6012 0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 -1.3824 1.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8559 -2.6634 2.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6191 -5.6576 1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3719 -4.6391 2.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5234 -6.1323 3.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0047 -3.1691 1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 -0.8679 0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 -0.0232 -1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6153 -1.0324 -0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4974 1.1094 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 1.5052 2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 1.3105 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3779 1.5580 -0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6199 -1.1427 0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -0.9801 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2138 -1.0378 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8276 0.7477 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3931 1.0705 -0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1831 -0.1529 0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5577 -1.0675 -1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0359 -0.4007 -2.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9657 -2.9717 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1678 -2.5573 -0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9156 -2.6335 -0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8184 -2.1418 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 0.0242 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2377 -0.3733 -2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5982 2.1840 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 4.4692 -2.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9306 7.0148 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 5.3277 -0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4899 1.1475 0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5056 1.6551 1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 -0.9482 1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0377 -3.1516 2.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 13 23 1 0 23 24 2 0 8 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 6 34 1 0 34 35 2 0 35 3 1 0 33 7 1 0 24 10 1 0 31 25 1 0 22 17 1 0 1 36 1 0 1 37 1 0 1 38 1 0 4 39 1 0 5 40 1 0 9 41 1 0 9 42 1 0 11 43 1 0 12 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 23 59 1 0 24 60 1 0 26 61 1 0 27 62 1 0 29 63 1 0 30 64 1 0 33 65 1 0 33 66 1 0 34 67 1 0 35 68 1 0 M END