HMDB0062178 RDKit 3D N-lactoyl-Tryptophan 36 37 0 0 0 0 0 0 0 0999 V2000 4.5890 0.6125 1.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 -0.0116 0.2922 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4343 0.9874 -0.5477 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8516 -0.9088 0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 -1.8513 1.5333 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 -0.6917 0.3704 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4118 -1.5551 0.8184 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5503 -0.7693 1.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1224 0.4067 0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 1.7018 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3025 2.4868 0.2458 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2885 1.7720 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3025 2.1005 -1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2467 1.1977 -1.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 -0.1023 -1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1336 -0.4556 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1926 0.4652 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 -2.2345 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 -1.9734 -1.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -3.2216 -0.0496 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 0.5340 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 1.6858 1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2405 0.1150 2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7019 -0.6423 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2537 0.5423 -1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3059 0.1041 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8513 -2.3569 1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3686 -1.4436 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 -0.4513 2.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2947 1.9631 1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1631 3.5329 0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3586 3.1332 -1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0132 1.5413 -2.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8747 -0.8089 -1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 -1.4592 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4379 -3.9449 -0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 7 18 1 0 18 19 2 0 18 20 1 0 17 9 1 0 17 12 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 6 3 25 1 0 6 26 1 0 7 27 1 1 8 28 1 0 8 29 1 0 10 30 1 0 11 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 20 36 1 0 M END