HMDB0041370 RDKit 3D Na-p-Hydroxycoumaroyltryptophan 44 46 0 0 0 0 0 0 0 0999 V2000 0.7538 0.4662 -1.4102 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 -0.2796 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5288 -0.3572 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4076 0.3506 -0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 0.3161 -0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 -0.4675 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 -0.4828 0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5445 0.3084 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9209 0.3004 0.4552 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0387 1.1018 -0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6818 1.1188 -1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 -1.0393 0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2794 -0.9878 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -0.5535 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5019 -0.4693 0.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4646 -1.3794 1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6549 -0.9547 0.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5598 0.2158 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4533 1.0551 -0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0213 2.2015 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6654 2.5332 -1.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7767 1.6801 -0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1934 0.5160 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7683 -2.2775 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 -3.2337 -0.7547 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0483 -2.5161 -1.0712 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7791 -1.0175 0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 0.9742 -1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6882 -1.1141 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0138 -1.1234 1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2051 0.9819 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6944 1.7280 -1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2918 1.7473 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 -1.6730 0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3877 -0.2470 -0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 0.4010 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8539 -1.3134 1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2968 -2.2910 1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5630 -1.4387 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4977 0.8168 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6901 2.9067 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3224 3.4442 -1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7171 1.8907 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6578 -1.8383 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 13 24 1 0 24 25 2 0 24 26 1 0 11 5 1 0 23 15 1 0 23 18 1 0 3 27 1 0 4 28 1 0 6 29 1 0 7 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 16 38 1 0 17 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 26 44 1 0 M END