HMDB0031013 RDKit 3D Catelaidic acid 66 65 0 0 0 0 0 0 0 0999 V2000 8.4268 3.6901 1.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6547 2.2549 0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3204 1.5626 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4403 0.1163 0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0101 -0.4427 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9719 -1.8717 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5456 -2.3710 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 -1.5802 -1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 -2.0931 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6463 -2.0223 0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -2.5485 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8312 -1.8756 0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2117 -2.4243 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 -1.5068 -0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3585 -1.9354 -0.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1932 -1.9644 0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2985 -0.6561 1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9082 0.4405 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9767 1.7466 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5856 2.8227 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9796 2.5018 -0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4186 3.6527 -1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7662 4.0494 -2.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6213 4.3238 -0.8445 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8162 4.4019 0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3410 3.9218 1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8554 3.8678 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3642 1.7083 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0318 2.2676 -0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6587 2.0486 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8356 1.5541 1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8186 0.0726 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1135 -0.4662 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6241 -0.3784 1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4227 0.2568 -0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4426 -2.0814 -1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5457 -2.4616 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5454 -3.4286 -0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1861 -2.3332 0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6009 -0.5029 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9716 -1.6999 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6487 -1.4891 -1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 -3.1475 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 -2.5750 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 -0.9498 0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 -3.5626 -0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7233 -0.8598 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6519 -2.3895 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2359 -3.4612 0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8723 -0.4728 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4102 -1.6078 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8023 -1.2667 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3552 -2.9657 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8548 -2.7277 1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2364 -2.2434 0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0447 -0.8221 1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3759 -0.3265 1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 0.5924 -0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9534 0.1683 -0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9491 2.0409 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5869 1.5682 1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9274 3.0217 -0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6644 3.7829 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0310 1.6092 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6543 2.4449 0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5605 5.0219 -0.1054 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 2 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 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 13 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 15 53 1 0 16 54 1 0 16 55 1 0 17 56 1 0 17 57 1 0 18 58 1 0 18 59 1 0 19 60 1 0 19 61 1 0 20 62 1 0 20 63 1 0 21 64 1 0 21 65 1 0 24 66 1 0 M END