HMDB0032679 RDKit 3D Annuionone A 36 37 0 0 0 0 0 0 0 0999 V2000 4.7047 -0.1738 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3285 0.3818 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1992 1.5001 -0.4863 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1221 -0.4238 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9399 0.4222 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 -0.0840 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3852 1.0417 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 2.3901 0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 0.8617 -1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7817 -0.2929 -1.6304 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.0922 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1528 -2.3698 -0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3575 -1.4222 -0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1168 -0.5644 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0785 -1.0102 1.1655 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 0.8538 0.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 0.5167 0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -1.1873 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2044 -0.2539 -0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -0.6391 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1648 -1.3975 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1571 1.4278 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9753 0.7086 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5225 -0.4172 1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 2.4178 1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1491 2.7313 -0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6787 3.1371 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 1.7610 -1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5593 0.7909 -1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8754 -3.2222 -0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 -2.3625 -1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -2.7252 0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -1.3655 -1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4568 -2.5103 -0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4294 1.5495 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 1.0219 1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 11 6 1 0 16 7 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 16 35 1 0 16 36 1 0 M END