HMDB0033468 RDKit 3D Diferuloylputrescine 60 61 0 0 0 0 0 0 0 0999 V2000 8.8508 -1.8468 1.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3215 -1.1464 0.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 -0.2448 -0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2422 0.0337 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4381 0.9201 -0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0628 1.2258 -0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4307 0.6928 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 1.0165 0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 0.4287 1.8534 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 1.9310 0.1614 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8824 2.2134 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 0.9456 0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 0.3907 -0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8065 -0.8516 -1.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1828 -0.8449 -0.7399 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 -0.7832 0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.7543 1.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2271 -0.7476 0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1028 -0.7672 -0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5458 -0.7300 -0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3944 -0.7551 -1.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7636 -0.7216 -1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3760 -0.6622 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7644 -0.6299 0.2631 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5568 -0.6370 1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1439 -0.5773 2.5204 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3738 -0.5482 3.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1635 -0.6707 1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 1.5892 -2.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2249 1.3315 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0246 0.4176 -1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3051 0.1878 -2.1832 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5848 -2.5973 1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8512 -2.2841 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7399 -1.0986 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8670 -0.4941 0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 1.9542 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 -0.0336 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 2.4297 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 2.5888 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 2.9343 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 1.3604 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 0.2926 1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5049 1.1704 -1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0022 0.2357 -1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6436 -1.1459 -2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2723 -1.7110 -0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -0.8942 -1.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6121 -0.7006 1.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7522 -0.8132 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9426 -0.8015 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4226 -0.7410 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2114 -0.5862 1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0800 -0.4540 4.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7881 0.4036 3.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7439 -1.4335 3.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5469 -0.6495 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 2.2953 -2.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 1.8360 -3.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8900 -0.4683 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 25 28 2 0 5 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 3 1 0 28 20 1 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 6 37 1 0 7 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 18 49 1 0 19 50 1 0 21 51 1 0 22 52 1 0 24 53 1 0 27 54 1 0 27 55 1 0 27 56 1 0 28 57 1 0 29 58 1 0 30 59 1 0 32 60 1 0 M END