HMDB0034178 RDKit 3D Guaiacin 48 50 0 0 0 0 0 0 0 0999 V2000 4.4896 0.4484 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5374 -0.2673 0.4998 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 -0.8201 1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 -0.7011 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 -1.2509 0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2783 -1.1125 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0092 0.1378 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 0.4335 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8776 1.5613 2.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0582 1.8217 3.6443 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3544 2.4114 1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 3.5605 1.6694 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 4.4551 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1577 2.1222 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4881 0.9920 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2882 0.7068 -1.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 -0.8157 -2.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -1.2433 -3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2099 -1.3838 -1.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -2.8969 -1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -1.9469 2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 -2.0934 2.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4313 -1.5311 2.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6373 -1.6673 2.8819 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 0.9041 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 1.2351 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2661 -0.1972 -1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 -0.1381 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -1.9314 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8489 -0.2121 2.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5489 2.6494 3.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 5.2364 1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7443 4.8340 0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2667 3.8503 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5231 2.7764 -0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1074 1.1205 -2.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 1.0603 -2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3056 -1.1245 -1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -2.1181 -3.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 -0.3681 -4.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4574 -1.5108 -3.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6735 -0.9708 -1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8996 -3.3754 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8529 -3.2772 -1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 -3.1068 -2.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1449 -2.3712 2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2952 -2.6429 3.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 -1.2422 2.4734 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 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 5 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 3 1 0 19 6 1 0 15 7 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 8 30 1 0 10 31 1 0 13 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 22 47 1 0 24 48 1 0 M END