HMDB0031772 RDKit 3D 1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol 38 38 0 0 0 0 0 0 0 0999 V2000 -4.2898 1.9428 -0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7637 0.6379 -0.6068 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4268 0.4171 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5666 1.4027 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2179 1.1025 0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 2.1626 0.7783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 3.4794 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2946 -0.1662 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -0.4544 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5217 0.5343 0.0557 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 1.0623 1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 -1.8082 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3321 -1.8391 -1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4686 -2.0063 0.6134 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6191 -1.1432 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9351 -0.8610 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8139 -1.8437 -0.8915 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 -3.1570 -1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2415 2.1679 0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6082 2.6560 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3261 2.0179 -0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9536 2.3991 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 4.1004 0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2234 3.5990 1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5138 3.8381 0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8209 -0.4755 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 1.5282 1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0112 1.8650 0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0118 0.2618 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 -2.6672 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4702 -2.9254 -1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -1.3466 -1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 -1.3854 -1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 -2.3892 1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1928 -2.1296 -0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3621 -3.1773 -1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1975 -3.6316 -0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0506 -3.7684 -1.6782 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 6 7 1 0 5 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 12 14 1 0 8 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 16 3 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 9 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 18 36 1 0 18 37 1 0 18 38 1 0 M END