HMDB0247146 RDKit 3D 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate 36 36 0 0 0 0 0 0 0 0999 V2000 -4.0752 -1.5746 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2951 -0.5261 -0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8314 0.5749 -0.3814 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0103 -0.7292 -0.1247 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3466 0.3283 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -0.1637 1.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -1.4359 1.7661 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8385 -1.2299 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 -0.6922 2.5463 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 -1.4759 3.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 -1.9737 5.0446 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -0.3675 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2789 -1.2087 -0.9157 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -1.2789 -1.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6096 -2.1856 -2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 -0.5219 -1.1839 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 0.6423 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 1.9125 0.4287 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 3.0331 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9058 4.3552 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 2.8830 -1.6046 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1475 -1.2270 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5757 -2.5364 -1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0911 -1.5760 -0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 1.2261 0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9325 -0.2528 2.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2614 0.5179 2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 -2.2436 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 0.1838 0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6837 -2.4757 -2.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -1.7289 -3.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0664 -3.1416 -2.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1556 0.7820 -1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 4.4867 1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9987 4.4674 0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 5.1525 -0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 2 0 8 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 12 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 2 0 17 5 1 0 1 22 1 0 1 23 1 0 1 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 12 29 1 0 15 30 1 0 15 31 1 0 15 32 1 0 17 33 1 0 20 34 1 0 20 35 1 0 20 36 1 0 M END