HMDB0039503 RDKit 3D N-Jasmonoyltyrosine 54 55 0 0 0 0 0 0 0 0999 V2000 7.2992 -0.2299 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0262 0.0807 -1.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8251 -0.4210 -1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 0.4366 -0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6496 -0.0490 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 0.6210 1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5149 2.0902 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7078 2.8512 0.2341 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 2.5037 2.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2522 1.3895 2.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 0.2050 2.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2489 -0.3192 1.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4924 0.5699 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1325 1.7548 0.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 0.1203 -0.1069 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3804 0.9964 -0.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7826 1.2383 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5347 -0.0167 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2833 -0.4795 -1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9696 -1.6777 -1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9261 -2.4085 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6234 -3.5982 0.0582 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1600 -1.9135 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4732 -0.7390 0.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4097 0.4403 -2.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8609 -0.6552 -2.6605 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0552 1.1257 -3.3665 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6834 -1.2259 -1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 0.5776 -1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1289 -0.2876 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1603 -0.3898 -2.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9601 1.1664 -2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7122 -1.4933 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0457 1.4824 -1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7526 0.1658 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7685 -1.1453 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 0.3716 1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 3.4946 2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 2.5153 3.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5082 1.1723 4.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2036 1.7447 2.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 -0.6243 2.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 -0.6467 2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5065 -1.3038 0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -0.8629 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 2.0078 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2863 1.8624 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7945 1.8508 0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 0.0519 -2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5530 -2.0203 -2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5868 -3.5503 0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1139 -2.4760 1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8879 -0.3933 1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6572 0.6041 -4.0050 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 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 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 21 23 1 0 23 24 2 0 16 25 1 0 25 26 2 0 25 27 1 0 11 6 1 0 24 18 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 15 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 19 49 1 0 20 50 1 0 22 51 1 0 23 52 1 0 24 53 1 0 27 54 1 0 M END