HMDB0030398 RDKit 3D N-(Carbomethoxyacetyl)-4-S-chlorotryptophan 38 39 0 0 0 0 0 0 0 0999 V2000 6.1109 1.2001 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 1.4503 0.3009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8562 0.3765 0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2381 -0.8166 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4336 0.7815 0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6549 -0.4841 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 -1.3655 1.8754 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6696 -0.8094 0.1114 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1332 -1.9652 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 -1.8260 0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4029 -0.9181 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1393 -1.3229 -1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7781 -0.2834 -1.7189 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 0.8034 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8684 2.1319 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4163 3.0330 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5831 2.6518 0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1903 1.3330 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 0.8017 2.3083 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6259 0.4098 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1352 -2.6223 -1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8149 -3.6614 -1.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6097 -2.1047 -2.2395 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5159 1.9832 -0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6464 1.1461 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2336 0.2366 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0866 1.3940 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 1.3771 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 -1.0107 2.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3227 -2.7825 0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 -2.8681 0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5482 -1.6967 1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2059 -2.3223 -1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3994 -0.2400 -2.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5289 2.4532 -1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7066 4.0743 -0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1976 3.3217 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 -1.8597 -3.1501 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 3 5 1 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 9 21 1 0 21 22 2 0 21 23 1 0 20 11 1 0 20 14 1 0 1 24 1 0 1 25 1 0 1 26 1 0 5 27 1 0 5 28 1 0 7 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 12 33 1 0 13 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 23 38 1 0 M END