HMDB0034415 RDKit 3D Withanolide A 72 77 0 0 0 0 0 0 0 0999 V2000 7.2003 -0.2465 0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7395 -0.1358 0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3367 0.8015 1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3358 1.7026 2.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9046 0.9398 1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 1.8219 2.4254 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0763 0.0449 0.9542 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4707 -0.3260 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4378 -1.1727 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 -2.4605 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 -1.4975 -2.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2259 -0.5660 -1.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 -1.7248 -2.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 -2.0823 -1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6281 -1.0566 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0315 -0.7493 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0924 -1.5620 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6898 -1.1681 -1.5786 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 -1.1250 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8065 0.2701 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1691 0.9261 -1.2303 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0800 0.3147 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3858 1.7341 1.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4878 2.7062 1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0973 2.3996 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2644 3.3108 0.6275 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 0.9587 0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8165 0.4525 2.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 0.7320 0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9758 1.3463 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8695 0.6345 -1.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1523 0.0383 -0.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5665 1.2082 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7761 -1.0789 -0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4036 -0.9781 -0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6944 -0.6733 1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6695 0.7398 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 2.5318 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9177 2.1861 2.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2507 1.1550 2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 0.5538 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 -2.3395 0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3927 -2.9720 -0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6757 -3.2133 -0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6775 -2.2917 -2.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5087 0.1745 -2.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -1.3531 -3.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 -2.5954 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -2.0042 -1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6557 -3.1064 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0267 -1.4519 0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1439 -1.0534 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9305 -2.6693 -0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2755 -1.8515 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1214 1.8912 -1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8976 -0.2628 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9364 -0.1363 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4236 1.9677 1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8262 3.6896 1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9439 -0.6269 2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 0.7314 2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5981 1.0284 2.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 1.1462 1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8848 1.2048 -1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8486 2.4463 -1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2985 1.3992 -2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2357 -0.1076 -2.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6391 1.0985 1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 2.1451 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 1.6035 -0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6573 -1.9029 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1877 -1.4941 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 8 34 1 0 34 2 1 0 32 12 1 0 32 15 1 0 29 16 1 0 19 17 1 0 27 20 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 4 39 1 0 4 40 1 0 8 41 1 0 10 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 16 52 1 0 17 53 1 0 19 54 1 0 21 55 1 0 22 56 1 0 22 57 1 0 23 58 1 0 24 59 1 0 28 60 1 0 28 61 1 0 28 62 1 0 29 63 1 0 30 64 1 0 30 65 1 0 31 66 1 0 31 67 1 0 33 68 1 0 33 69 1 0 33 70 1 0 34 71 1 0 34 72 1 0 M END