HMDB0039138 RDKit 3D Hericenone C 95 95 0 0 0 0 0 0 0 0999 V2000 -13.1284 1.8880 0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7025 1.3090 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9287 -0.1156 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7690 -0.9271 -0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6617 -1.1911 0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8297 -0.0956 0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1711 0.7502 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2486 0.0265 -1.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1124 -0.6092 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -1.3199 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0198 -1.9777 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -0.9984 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9948 -1.5760 0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0168 -2.2526 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4413 -1.3637 -1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2836 -0.2272 -0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6144 0.7339 -1.2668 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 -0.1539 0.8264 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3279 0.9437 1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6772 1.0181 0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1777 0.0850 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 0.1728 -0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9027 -0.8081 -1.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0624 -1.8642 -1.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 1.2039 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 1.3166 -0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6846 0.4707 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7222 -0.4489 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -0.8633 1.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0361 -1.1732 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0802 -0.6653 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1766 -1.1272 -1.3169 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0128 0.3648 0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9686 0.8656 -0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1939 0.4143 -1.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8820 1.9226 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8085 2.1700 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6786 3.1772 0.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 2.0711 1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 3.0677 2.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 3.0051 2.5597 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9992 2.7775 1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5090 2.1951 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7212 1.0808 0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1887 1.4221 1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2822 1.9247 -0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6424 -0.1238 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5249 -0.5997 0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1874 -1.9485 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3820 -0.4476 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0088 -2.0381 -0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0986 -1.7165 1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3307 0.5034 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0044 -0.6151 1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5374 1.5041 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9164 1.3511 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8209 0.7610 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7446 -0.7516 -1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5843 0.1429 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5168 -1.3683 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7915 -2.1552 -1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8869 -0.6480 -2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 -2.4073 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 -2.7918 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 -0.5292 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8455 -0.1724 -0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 -2.3076 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4928 -0.7526 1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3777 -3.2204 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1374 -2.5441 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 -1.0408 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3415 -1.9912 -1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3052 0.7893 2.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 1.8424 1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5888 -0.7855 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8233 -2.4338 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 -2.5423 -2.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -1.4920 -2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5069 1.2476 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9248 2.4077 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6497 0.6577 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9615 -1.6655 0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9738 -1.3827 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0023 -0.0242 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8736 -2.2521 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3426 -1.1209 1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 0.7474 1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2661 0.5688 -2.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0114 0.9675 -2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4006 -0.6766 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8975 1.5282 0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9863 2.7279 -0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3920 2.3748 0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4580 3.9204 1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6836 3.8848 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 2 3 34 35 1 0 34 36 1 0 25 37 1 0 37 38 1 0 37 39 2 0 39 40 1 0 40 41 2 0 39 20 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 6 54 1 0 7 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 10 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 12 66 1 0 13 67 1 0 13 68 1 0 14 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 19 73 1 0 19 74 1 0 21 75 1 0 24 76 1 0 24 77 1 0 24 78 1 0 26 79 1 0 26 80 1 0 27 81 1 0 29 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 86 1 0 33 87 1 0 35 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 36 93 1 0 38 94 1 0 40 95 1 0 M END