HMDB0030728 RDKit 3D 8-Methoxygravelliferone 48 49 0 0 0 0 0 0 0 0999 V2000 5.8660 -1.9035 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7876 -1.2339 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7847 -0.8786 0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 -2.1433 1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4852 -0.0109 1.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6058 -0.2050 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3544 -0.7629 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2981 -0.0785 -0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0069 -0.5434 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 0.1655 -0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4277 -0.3156 -0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2362 0.4371 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8096 -0.1642 1.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6416 -1.6264 1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6267 0.5984 2.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7597 1.3396 -1.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7993 2.0639 -2.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 1.8498 -1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2537 3.0417 -2.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0132 2.9346 -3.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5311 1.1094 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 1.6095 -1.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 0.9944 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9393 1.4383 -0.6409 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0288 -2.1888 1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6252 -2.1846 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6225 -0.9454 -1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -2.6511 1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.9054 2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8916 -2.8838 0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2547 0.6426 1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7432 0.5593 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -0.6880 2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 -1.6891 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -1.4745 0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9425 -0.2362 -1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4681 -1.4118 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3628 1.5057 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2026 -1.9790 2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5472 -1.8666 1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0164 -2.2096 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6485 0.8184 1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 0.0169 3.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1326 1.5675 2.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 2.9300 -2.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 3.9211 -4.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8587 2.4137 -4.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8777 2.2225 -3.7730 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 3 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 10 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 18 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 23 6 1 0 21 8 1 0 1 25 1 0 1 26 1 0 2 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 5 33 1 0 7 34 1 0 9 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 14 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 15 44 1 0 17 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 M END