HMDB0005781 RDKit 3D Glycitein 33 35 0 0 0 0 0 0 0 0999 V2000 4.6764 1.3155 -1.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7872 0.4664 -0.7191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 -0.0241 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3827 0.2836 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.2277 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 0.0720 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1577 0.8216 -1.1835 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 -0.4320 0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4603 -0.1055 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4194 0.2536 0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7022 0.5648 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0945 0.5353 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4075 0.8555 -1.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1427 0.1791 -1.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8473 -0.1367 -1.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8462 -1.2483 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -1.5335 1.9397 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4446 -1.0537 1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 -1.3588 1.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -0.8487 1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 -1.1523 1.4275 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6732 1.5621 -2.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1529 0.7344 -2.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1217 2.2502 -1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2122 0.9148 -1.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 0.2822 2.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4278 0.8422 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5894 1.8274 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4673 0.1595 -2.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1135 -0.4162 -2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 -1.6372 2.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8812 -1.9926 2.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 -1.7528 2.2238 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 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 8 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 20 3 1 0 18 5 2 0 15 9 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 10 26 1 0 11 27 1 0 13 28 1 0 14 29 1 0 15 30 1 0 16 31 1 0 19 32 1 0 21 33 1 0 M END