HMDB0041305 RDKit 3D 1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene 40 41 0 0 0 0 0 0 0 0999 V2000 -7.7654 1.7126 -1.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0753 0.4843 -1.6514 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9141 0.3007 -0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4327 1.3727 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2819 1.2187 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6024 -0.0027 0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 -0.1662 1.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.3112 1.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1808 -0.4722 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 -0.9708 2.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7956 -1.3102 0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -0.5743 -0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 -0.5180 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6449 0.3581 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 0.4600 -0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8275 -0.3032 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2136 -0.2350 -0.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 0.6019 -1.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2460 -1.1819 0.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 -1.2775 0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0907 -1.0575 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2439 -0.9025 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2018 2.5037 -2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9329 2.0181 -0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7812 1.5591 -2.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9551 2.3174 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8926 2.0404 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1054 -0.2171 3.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8215 -1.0890 2.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2412 -1.1830 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 -2.3971 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 1.0010 -1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 1.1576 -1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9954 0.6321 -0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5997 1.6608 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 0.2860 -2.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8891 -1.7861 1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5027 -2.0010 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5487 -2.0024 -0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 -1.7266 -1.4533 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 3 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 2 0 6 21 1 0 21 22 2 0 22 3 1 0 20 13 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 15 33 1 0 18 34 1 0 18 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 M END