HMDB0041274 RDKit 3D Phenylethyl primeveroside 57 59 0 0 0 0 0 0 0 0999 V2000 6.9453 -2.2433 0.8641 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3743 -1.2780 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 -1.7749 -0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3431 -0.6299 -0.9438 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7352 -0.2373 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7426 0.6975 0.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 0.1539 0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4163 1.1846 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 0.6716 0.6257 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8922 1.2699 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3243 0.4624 -0.9746 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5753 -0.0759 -0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7168 -0.9395 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1309 -1.4370 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5311 -2.5928 -0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8332 -3.0444 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7760 -2.2886 0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3867 -1.1077 1.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0777 -0.6777 1.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 2.6548 -0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 3.4582 -0.6427 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 2.6070 -1.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 3.8697 -1.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4952 1.5818 -1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3837 0.5186 -2.0859 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 0.2720 1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5684 -0.2608 2.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 0.0402 0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6418 1.1037 -0.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9302 -2.1114 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1033 -1.1070 -0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3371 -2.3737 -1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5579 -2.3804 0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 -1.1633 0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 -0.7870 -0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5987 -0.0470 1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7227 2.0732 0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6562 1.3549 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7892 -0.7171 -1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3856 0.6782 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5553 -0.4067 1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 -1.8359 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7736 -3.1791 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0807 -3.9667 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8143 -2.6284 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1677 -0.5452 1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7898 0.2566 1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 3.1347 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 3.9050 0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 2.4303 -2.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 3.9402 -0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5226 2.0129 -1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 -0.1311 -2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6412 1.3711 1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3849 -0.6819 2.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8616 0.0400 1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3773 0.9070 -0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 10 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 5 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 2 1 0 24 8 1 0 19 14 1 0 1 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 5 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 10 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 25 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 M END