HMDB0039500 RDKit 3D N-Malonyltryptophan 35 36 0 0 0 0 0 0 0 0999 V2000 5.4672 -1.3003 1.6861 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6243 -1.0120 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9132 -1.1632 -0.0348 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5825 -0.5331 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2605 -0.4104 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1492 -0.7297 1.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1099 0.0443 -0.4867 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8102 0.1433 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1133 -0.7498 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4846 -0.8616 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 -1.8337 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3079 -1.6109 0.9192 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6823 -0.5092 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8741 0.1374 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9646 1.2467 -0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8717 1.7359 -1.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6844 1.0715 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5557 -0.0485 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4717 1.5740 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1344 2.4558 -0.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6304 2.0234 0.9078 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5887 -0.4162 -0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8754 0.4314 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 -1.2663 -1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1842 0.3121 -1.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -0.2365 1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4237 -1.7553 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0166 -0.4160 -1.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 -2.6597 1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9825 -2.1595 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7785 -0.2283 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9122 1.7863 -0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8872 2.6027 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8058 1.4470 -1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1064 2.8885 0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 8 19 1 0 19 20 2 0 19 21 1 0 18 10 1 0 18 13 1 0 3 22 1 0 4 23 1 0 4 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 21 35 1 0 M END