HMDB0002352 RDKit 3D Capsidiol 41 42 0 0 0 0 0 0 0 0999 V2000 3.9331 0.6623 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0794 -0.3493 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5599 -1.5834 0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7086 -0.3218 -0.7225 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5048 0.9280 -1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 0.9273 -1.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8787 0.6813 -1.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2856 0.6956 -1.5007 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6817 2.0347 -1.5589 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2189 -0.1019 -0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 -0.9185 0.4059 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9976 -2.0673 -0.1191 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5752 -0.1078 1.2167 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0860 -0.9979 2.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4492 0.4162 0.3593 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0459 1.7725 0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7073 -0.5199 0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9074 0.5709 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7313 1.6036 -0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 -1.7743 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 -1.4381 1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 -2.4291 0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6831 -1.1743 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 0.8808 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 1.8651 -0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 1.1310 -2.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3078 0.3257 -2.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2636 2.1831 -2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 0.5982 -0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 -0.8026 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3592 -1.2432 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6646 -2.8026 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1641 0.7072 1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 -2.0241 1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9281 -1.0969 3.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 -0.5475 2.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 2.0195 1.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2112 2.6036 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 1.7271 1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1964 -0.4726 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 -1.5606 0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 1 15 17 1 0 17 4 1 0 15 7 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 6 5 24 1 0 5 25 1 0 6 26 1 0 8 27 1 6 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 1 12 32 1 0 13 33 1 1 14 34 1 0 14 35 1 0 14 36 1 0 16 37 1 0 16 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 M END