HMDB0041214 RDKit 3D Betavulgarin xyloside 52 56 0 0 0 0 0 0 0 0999 V2000 4.8143 -0.1960 -1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 0.2717 -0.1815 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9469 -0.3674 0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -1.3599 1.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7545 -1.9915 2.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 -1.6386 2.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8312 -0.6450 1.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5802 -0.3029 2.0835 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0241 0.6343 1.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 1.3090 0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 2.3459 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 3.5654 -0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0795 4.5573 -1.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1569 4.3603 -1.8828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7798 3.1379 -1.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1949 2.1340 -0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 0.9033 -0.6718 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0087 0.4799 -1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -0.6464 -1.9498 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4024 -1.6881 -1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7133 -2.3510 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5639 -2.9170 0.6277 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7082 -1.1969 -0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7633 -1.5177 0.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9133 0.0009 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8428 1.0088 0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0159 0.9782 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 1.5644 -0.6487 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6236 -0.0133 0.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5874 -2.9290 3.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7378 -3.1636 2.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8172 -1.9230 1.5638 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9763 0.6174 -2.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8728 -0.7481 -1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6324 -0.9418 -1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -2.1346 3.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 0.9093 1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6601 3.6922 -0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5747 5.4970 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6728 5.0991 -2.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7594 2.9880 -2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5283 1.2049 -1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7122 -2.4103 -1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 -1.2644 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0681 -3.0618 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4232 -3.2832 0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1498 -0.9553 -1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6017 -1.0466 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3572 -0.3059 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4373 1.0685 -0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 -3.9484 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6376 -3.3800 2.8503 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 10 27 1 0 27 28 2 0 27 29 1 0 5 30 1 0 30 31 1 0 31 32 1 0 29 3 1 0 32 4 1 0 29 7 2 0 16 11 1 0 25 18 1 0 1 33 1 0 1 34 1 0 1 35 1 0 6 36 1 0 9 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 18 42 1 0 20 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 31 51 1 0 31 52 1 0 M END