HMDB0032488 RDKit 3D Prenyl benzoate 28 28 0 0 0 0 0 0 0 0999 V2000 -4.3151 1.5669 0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 0.4410 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 -0.7257 -0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 0.4942 1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2471 -0.6131 0.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 -0.1036 0.5138 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 -0.9459 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 -2.1574 0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4217 -0.4603 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4845 -1.3249 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7144 -0.8737 -0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8695 0.4663 -0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 1.3223 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 0.8722 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7717 2.5291 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9571 1.6318 -0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9922 1.3637 1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8406 -0.8111 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6225 -0.6517 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5586 -1.6733 -0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0383 1.3446 1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1576 -1.1088 1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5558 -1.3833 0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3179 -2.3738 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5461 -1.5786 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8216 0.8096 -1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 2.3834 -1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7159 1.5601 -0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 M END