HMDB0030140 RDKit 3D Adlupulone 68 68 0 0 0 0 0 0 0 0999 V2000 3.9052 3.6115 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7872 3.2242 -0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 1.8471 -0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0002 0.8048 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8027 1.8060 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4858 2.8238 0.5307 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8358 0.7241 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 -0.3506 -1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -0.5112 -1.7214 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0329 -1.4004 -1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5157 -2.7349 -0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 -2.7023 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1134 -3.0284 1.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1604 -3.4433 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4634 -2.9811 2.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3127 -1.0662 -0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1463 -1.9558 -0.6464 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 0.2906 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0787 1.2085 -1.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2462 0.7350 -2.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1489 0.4905 -3.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3334 0.0164 -4.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8448 0.6949 -4.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 0.2622 0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 -0.4998 1.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8383 0.0205 3.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3158 1.4136 3.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6085 -0.7654 4.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4513 0.8886 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 1.5053 1.4733 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 4.4776 1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 2.8150 1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9456 3.9569 1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 3.9574 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 3.2428 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1368 1.6187 -1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4215 0.1316 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6157 0.1979 -0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 1.3654 0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 -0.7802 -2.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0762 -1.6085 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3691 -3.0864 -1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3192 -3.4615 -0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 -2.4091 1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7819 -4.3088 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4187 -2.6636 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0486 -3.7974 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 -2.8920 2.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0686 -3.8743 3.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -2.0798 3.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2374 1.4427 -2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3597 2.1801 -0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2002 0.5821 -1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1991 -0.0040 -5.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5457 -1.0250 -3.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 0.6305 -3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 0.5147 -5.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 0.0631 -3.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5699 1.7706 -3.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0305 1.3242 1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7201 -0.1373 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2729 -1.5448 1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 1.5825 4.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 2.1464 3.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1452 1.6868 2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8207 -1.5138 4.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5231 -1.3147 4.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 -0.1139 5.2614 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 8 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 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 3 21 22 1 0 21 23 1 0 18 24 1 0 24 25 1 0 25 26 2 3 26 27 1 0 26 28 1 0 18 29 1 0 29 30 2 0 29 7 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 4 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 14 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 15 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 22 54 1 0 22 55 1 0 22 56 1 0 23 57 1 0 23 58 1 0 23 59 1 0 24 60 1 0 24 61 1 0 25 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 28 66 1 0 28 67 1 0 28 68 1 0 M END