HMDB0038194 RDKit 3D Geijerone 31 31 0 0 0 0 0 0 0 0999 V2000 -1.5426 -2.3194 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7558 -1.2634 1.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6261 -0.2923 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 -1.1378 -1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8879 0.4742 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9027 1.8508 0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6024 2.5094 0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 3.4353 1.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 1.9356 -0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6231 0.4987 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8214 -0.1016 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 0.5312 -1.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3131 -1.4693 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 -2.4915 0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6901 -3.0685 1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2536 -1.1619 2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 -1.3113 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1469 -0.6097 -1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0341 -2.1180 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7283 -0.0926 0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2031 0.5120 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4264 1.9182 1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 2.5412 -0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4609 2.4427 0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2566 2.0388 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8489 0.5220 1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1824 1.5191 -1.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 0.1336 -1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3381 -1.3983 0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4328 -2.1100 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6773 -1.9169 0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 3 11 13 1 0 10 3 1 0 1 14 1 0 1 15 1 0 2 16 1 0 4 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 M END