HMDB0032622 RDKit 3D Phenethyl rutinoside 60 62 0 0 0 0 0 0 0 0999 V2000 -5.5119 -1.8230 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0434 -0.3960 0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9109 -0.2204 -0.1537 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 0.9327 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 0.9654 -0.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8739 1.0455 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5961 -0.1094 1.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 0.1324 1.6588 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7037 -0.5346 1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9825 -0.2380 -0.1607 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1988 0.3295 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3371 -0.5512 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6601 0.0444 -0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3106 -0.1255 -1.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5362 0.4454 -1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1346 1.2106 -0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5085 1.4044 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2697 0.8110 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -2.0001 1.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 -2.8173 1.1675 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2831 -2.4253 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -2.8431 -0.7362 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8065 -1.4281 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0887 -1.2327 -0.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1076 2.0992 -0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5593 3.3108 0.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 1.9869 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3062 2.8900 -0.2946 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 0.6055 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2424 0.3981 -1.2208 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8797 -2.4600 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2565 -2.1202 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5875 -1.9417 0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7693 -0.2150 1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0164 0.9798 1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0634 1.1987 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.9600 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3559 0.0157 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5617 -0.2370 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1809 0.5868 -1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 1.2582 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3255 -0.7512 1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2644 -1.4909 -0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8613 -0.7166 -2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0097 0.2847 -2.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1115 1.6741 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9925 2.0077 1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8225 0.9941 1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1422 -2.0935 2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -3.0696 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0634 -3.3958 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1312 -2.1241 -1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 -1.9231 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4498 -0.6569 -1.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2213 2.0494 -1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2078 3.3605 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 2.2064 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2352 2.7883 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0178 0.5368 0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4359 -0.5724 -1.3572 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 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 9 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 4 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 2 1 0 23 7 1 0 18 13 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 4 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 9 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 14 44 1 0 15 45 1 0 16 46 1 0 17 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 22 52 1 0 23 53 1 0 24 54 1 0 25 55 1 0 26 56 1 0 27 57 1 0 28 58 1 0 29 59 1 0 30 60 1 0 M END