HMDB0041406 RDKit 3D Bancroftinone 29 29 0 0 0 0 0 0 0 0999 V2000 -3.8297 -1.3089 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0134 -0.2240 -0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6471 -0.2876 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9804 -1.4524 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4115 -1.4619 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0589 -2.6779 -0.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0967 -0.3173 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5449 -0.3662 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -1.6272 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 0.6755 0.6374 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 0.8851 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1439 1.9842 0.7467 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6964 2.9085 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 0.8669 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7149 2.1176 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3469 -1.9060 -1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8251 -1.0156 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 -1.9533 0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4856 -2.3583 -0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5534 -3.5165 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0065 -2.4236 0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 -1.4243 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -2.0265 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 2.4861 -1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6029 3.3537 0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9801 3.7487 -0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6675 2.7437 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7957 1.8969 0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 2.6804 1.3989 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 5 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 7 11 1 0 11 12 1 0 12 13 1 0 11 14 2 0 14 15 1 0 14 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 6 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 13 24 1 0 13 25 1 0 13 26 1 0 15 27 1 0 15 28 1 0 15 29 1 0 M END