HMDB0032058 RDKit 3D Isoeugenol benzyl ether 37 38 0 0 0 0 0 0 0 0999 V2000 -4.9912 1.8926 0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3035 0.6260 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4439 -0.2508 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0209 -0.1230 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 0.9611 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8748 0.9251 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 -0.2325 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1922 -0.2248 0.0738 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8901 0.9353 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3575 0.7228 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9572 -0.4961 0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3434 -0.6472 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1449 0.4220 0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5642 1.6359 0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1829 1.7814 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9259 -1.3470 -0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2755 -2.5476 -0.5883 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9672 -3.7342 -0.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -1.3139 -0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7615 2.7298 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3553 1.8380 1.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9939 2.2561 1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3876 0.3779 -0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 -1.1879 -0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 1.9281 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 1.8202 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 1.7338 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 1.3270 1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 -1.3353 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -1.6035 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2325 0.3136 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 2.4721 1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7448 2.7459 0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3791 -3.7200 -1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2081 -4.5622 -0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7748 -3.8972 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 -2.2215 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 7 16 1 0 16 17 1 0 17 18 1 0 16 19 2 0 19 4 1 0 15 10 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 5 25 1 0 6 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 18 34 1 0 18 35 1 0 18 36 1 0 19 37 1 0 M END