HMDB0033331 RDKit 3D (E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)et... 40 41 0 0 0 0 0 0 0 0999 V2000 -5.8350 0.0908 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -0.1923 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 -0.2658 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1052 -0.4950 -1.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9226 -0.7484 -2.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6761 -0.7724 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2489 0.1359 -0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0644 0.0680 0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1429 1.0433 1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 1.4952 1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5682 1.1328 1.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 1.1411 2.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9337 0.9548 1.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9985 0.9585 2.6009 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1813 0.7518 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 0.7418 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3927 0.5371 -1.9309 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8445 0.9313 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -1.0578 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2998 -2.0099 -0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8643 -1.8974 -1.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2584 -2.8663 -2.5249 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2273 0.2371 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4398 0.1599 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0567 -1.1179 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 0.7120 1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5545 -0.4748 1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9105 -0.5313 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8358 -0.9665 -3.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 1.0603 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8014 1.4591 1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 2.2612 2.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4323 1.3008 3.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 1.8218 2.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1896 0.5999 0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3628 -0.4511 -2.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0429 0.9746 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 -1.2653 0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9257 -2.8841 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1129 -2.7714 -3.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 8 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 6 1 0 18 11 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 7 30 1 0 9 31 1 0 10 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 17 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 22 40 1 0 M END