HMDB0036334 RDKit 3D (S)-2-Hydroxy-2-phenylacetonitrile O-[b-D-apiosyl-(1->2)-b-D-glucoside] 55 57 0 0 0 0 0 0 0 0999 V2000 -0.5158 -3.2381 1.2661 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1423 -2.2779 1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9652 -1.0665 0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5712 -0.5262 -0.3491 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.7944 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 1.5623 -0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 2.8010 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3501 3.6813 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 4.9561 -0.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 2.7583 -2.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6912 3.7746 -1.9052 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 1.4341 -2.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1018 0.5521 -3.0147 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3816 0.8776 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 -0.3390 -0.4715 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 -0.3641 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9513 -1.3013 1.4107 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 -1.1848 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1486 -1.3039 0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4659 -2.6396 0.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -0.4523 1.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2335 -0.5742 -0.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 -0.7654 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0136 -1.7744 -1.2521 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3713 -1.5597 0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3602 -0.8052 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 -1.2992 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0180 -2.5303 0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0309 -3.2835 1.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7427 -2.8009 1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8298 -0.3950 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 1.0225 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2644 3.2534 -1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6821 3.2604 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3345 3.8235 0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 5.5935 0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 2.8363 -3.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 3.7423 -0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6094 1.6380 -2.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -0.0848 -2.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 1.6008 0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2222 0.6568 0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -0.1606 2.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4056 -1.9239 2.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -3.0573 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -0.8194 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0822 0.5839 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1395 -1.5090 -0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7694 0.1089 -0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1822 -2.2277 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 0.1559 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3935 -0.6585 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0443 -2.8728 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3103 -4.2552 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9871 -3.4177 1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 19 23 1 0 23 24 1 0 3 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 14 5 1 0 23 16 1 0 30 25 1 0 3 31 1 0 5 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 18 43 1 0 18 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 26 51 1 0 27 52 1 0 28 53 1 0 29 54 1 0 30 55 1 0 M END