HMDB0029439 RDKit 3D (2S,4S)-Pinnatanine 33 32 0 0 0 0 0 0 0 0999 V2000 -1.5349 -2.8104 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2348 -1.8915 0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0196 -0.8612 0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3426 0.1723 1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9325 0.2204 1.4377 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 0.2542 0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 0.2403 -0.8428 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 0.3038 0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 -0.9515 -0.0037 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6032 1.3171 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0722 1.5275 -0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 2.0265 0.2589 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7423 0.3223 -1.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3126 -0.2714 -2.4803 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8623 -0.1635 -0.8461 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 -0.7494 0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9028 0.4304 1.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4202 -2.6941 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7853 -3.7128 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 -2.5881 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9068 0.9766 1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 0.8593 -1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7325 0.6343 1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 -1.5765 0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 0.8550 -1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0897 2.2538 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1789 2.3151 -1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 2.7041 0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5827 2.5964 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2308 0.2797 -0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8195 -0.6507 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9733 -1.6387 1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3771 0.2706 2.3055 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 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 3 16 1 0 16 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 4 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 15 30 1 0 16 31 1 0 16 32 1 0 17 33 1 0 M END