HMDB0001124 RDKit 3D Trehalose 6-phosphate 50 51 0 0 0 0 0 0 0 0999 V2000 6.9121 0.6517 -1.2437 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9602 1.8099 -1.1004 P 0 0 0 0 0 5 0 0 0 0 0 0 5.6705 2.4277 -2.6508 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6732 3.0041 -0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5608 1.2665 -0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 0.8304 -1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 0.3641 -0.5235 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3905 -0.0860 -1.2932 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4422 -0.8958 -0.7855 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4253 -0.1482 -0.0261 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -0.1695 -0.3474 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4221 -0.7991 0.6845 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7809 -0.5586 0.6617 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5944 -1.5974 1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2478 -1.7039 2.7042 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2881 -0.4007 -0.7580 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6787 -0.4011 -0.7409 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 0.9494 -1.2122 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8818 1.0896 -2.5881 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3371 1.1451 -0.7385 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3723 2.0500 0.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 -1.9831 0.1494 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0881 -2.7225 0.6265 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6576 -1.2047 1.2845 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1129 -2.0605 2.2661 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8314 -0.5364 0.6025 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6491 0.0910 1.5111 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 3.4255 -2.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0099 3.7486 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3867 1.7367 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 0.0179 -1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0218 1.3036 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0448 -1.4553 -1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8534 -0.8495 -1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9578 0.4136 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6574 -1.2491 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 -2.5780 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -0.9512 2.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9658 -1.2215 -1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0618 -0.9474 -1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4535 1.7098 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 2.0575 -2.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7707 1.5219 -1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 2.9431 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7134 -2.5598 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -3.5905 0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9893 -0.4206 1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -1.7356 3.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4266 -1.3679 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5205 -0.3637 1.6552 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 9 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 7 1 0 20 11 1 0 3 28 1 0 4 29 1 0 6 30 1 0 6 31 1 0 7 32 1 1 9 33 1 6 11 34 1 6 13 35 1 1 14 36 1 0 14 37 1 0 15 38 1 0 16 39 1 6 17 40 1 0 18 41 1 1 19 42 1 0 20 43 1 6 21 44 1 0 22 45 1 6 23 46 1 0 24 47 1 1 25 48 1 0 26 49 1 6 27 50 1 0 M END