HMDB0040525 RDKit 3D 11,12-Dimethylrosmanol 57 60 0 0 0 0 0 0 0 0999 V2000 -3.6715 1.1636 -2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2668 0.8879 -0.7414 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 0.2173 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2743 -1.0385 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4416 -1.9516 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6628 -2.4756 1.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6177 -1.5437 -0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1567 -1.5972 0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0313 -0.8775 0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0672 0.4292 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0132 1.0360 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2369 2.2566 -0.5261 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4573 3.4435 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3297 1.1414 0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 2.0897 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 1.3686 -1.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -0.0870 -1.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1082 -0.4591 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1922 -1.9652 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5857 -0.0571 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 0.2833 0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 -0.4921 2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5634 0.5523 2.7984 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3162 1.7030 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1333 2.8347 2.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1259 -1.5066 1.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 -1.5950 3.0299 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1108 2.2259 -2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4458 0.5860 -2.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 1.2958 -2.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0342 -2.8976 -0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6891 -2.5076 2.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2704 -3.3320 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 -1.5418 2.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4541 -1.6026 -1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1353 -0.6170 -0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4122 -2.3434 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0929 -2.6613 1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 3.7481 -2.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 3.8125 -0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8289 4.2430 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1188 2.9345 -0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 2.5589 -0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 1.8353 -2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 1.5504 -2.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1262 -0.3832 -2.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -0.7341 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -2.5056 -0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5613 -2.2077 0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0265 -2.3479 -0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6604 1.0008 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8582 -0.1071 -1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2643 -0.6816 0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 1.0316 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0258 -0.9552 2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3695 -2.5185 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0586 -0.6394 3.0826 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 1 0 5 7 1 0 4 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 10 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 18 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 22 26 1 0 26 27 1 0 11 3 1 0 21 14 1 0 26 9 1 0 24 14 1 0 1 28 1 0 1 29 1 0 1 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 13 39 1 0 13 40 1 0 13 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 19 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 20 53 1 0 21 54 1 0 22 55 1 0 26 56 1 0 27 57 1 0 M END