HMDB0038181 RDKit 3D Peperinic acid 27 28 0 0 0 0 0 0 0 0999 V2000 -3.1253 -0.3225 1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 0.3756 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9561 -0.0932 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3086 -1.4164 0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 -1.2812 0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7674 -0.2688 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2463 -0.2085 -0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1034 1.0789 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2978 0.9409 -0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1948 0.4495 -2.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1035 2.0403 -0.6706 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 1.7472 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2608 2.5132 0.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0336 -0.5590 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4665 0.3389 2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7243 -1.2695 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 -2.0681 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -1.9103 1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 -2.2858 0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5337 -1.0356 1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 -0.5678 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5663 0.8007 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6418 -0.2329 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 -0.9459 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0246 1.1536 0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 1.8678 -0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 1.1588 -2.6728 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 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 2 1 0 9 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 10 27 1 0 M END