HMDB0041003 RDKit 3D Vulgarolide 40 42 0 0 0 0 0 0 0 0999 V2000 3.0905 -1.5968 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2902 -1.4275 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4248 -2.4264 -0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 -3.5884 -0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 -1.8391 -1.8897 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7322 -0.4602 -1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0589 -0.2059 -0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2851 1.0798 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6997 1.3600 1.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2719 1.7356 0.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 1.8496 2.0825 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6739 2.0001 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 0.7675 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 0.9435 -2.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5892 0.5075 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4918 -0.2827 1.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3539 -1.2561 1.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0859 -1.7721 2.5493 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 -0.7542 0.7205 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 -0.4717 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -0.8065 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 -2.5799 1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 0.1578 -2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -0.2838 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 1.8908 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 1.2537 -0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 2.3082 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 0.5970 1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4801 2.7045 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 2.5214 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6673 1.3772 -2.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8823 1.6543 -2.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 -0.0007 -2.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0379 1.5232 0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3407 0.0372 -0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5131 0.3405 2.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4305 -0.9094 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 -2.1083 0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6501 -2.5473 2.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1521 -1.2927 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 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 2 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 7 2 1 0 20 13 1 0 20 6 1 0 1 21 1 0 1 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 12 29 1 0 12 30 1 0 14 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 20 40 1 0 M END