HMDB0250503 RDKit 3D 2-[(1r,3s)-3-Hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol 57 58 0 0 0 0 0 0 0 0999 V2000 5.6155 2.1536 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 1.1880 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7909 -0.2554 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -0.2700 0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7151 -1.6479 0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 -1.7757 0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5063 -1.5712 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9111 -2.6734 -1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9558 -0.2691 -1.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0624 -1.3127 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2967 -0.1468 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 0.3094 0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5722 -0.3736 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 0.0550 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 1.4528 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2836 1.6924 -1.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9103 2.2163 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8422 1.2121 1.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9992 1.9645 2.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5768 0.4257 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 -1.5354 -0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1895 -2.2322 -1.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 -2.0052 -0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7616 1.9262 -1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1295 3.1480 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 2.3492 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 1.5338 1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3522 1.2751 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3227 -0.8459 1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9171 -0.6330 -0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1567 0.1427 1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8817 0.4566 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1581 -2.3176 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1427 -2.0803 1.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9297 -1.1174 1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -2.8409 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 -3.4391 -0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1124 -3.2198 -1.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 -2.2844 -2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8675 -0.4434 -1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -0.2519 -1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7383 0.6085 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3939 0.4275 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 1.2000 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6194 -0.5481 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4662 2.2060 -0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1666 1.2050 -1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3238 2.4186 -2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7822 0.7374 -1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3793 3.1957 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9605 2.4507 -0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7716 0.5933 0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9977 2.9119 2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8641 1.0970 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7925 -0.4973 1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0068 -3.0624 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6983 -2.9031 -1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 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 18 20 1 0 13 21 1 0 21 22 1 0 21 23 2 0 23 10 1 0 20 14 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 8 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 9 42 1 0 11 43 1 0 12 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 22 56 1 0 23 57 1 0 M END