HMDB0253583 RDKit 3D Iriflophenone 28 29 0 0 0 0 0 0 0 0999 V2000 -0.1247 -0.7441 2.2703 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 -0.3680 1.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3929 -0.2836 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3746 -1.2114 0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6566 -1.1753 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0122 -0.1831 -0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2686 -0.0682 -1.2936 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 0.7443 -1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7735 0.6950 -0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2012 -0.0875 0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 0.2739 1.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 0.3738 2.7762 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 0.5366 1.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8657 0.4528 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1883 0.7302 -0.5774 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9495 0.1077 -1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 -0.1621 -0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8104 -0.5152 -1.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 -2.0061 1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4194 -1.9031 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0198 0.4700 -0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3252 1.5379 -1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 1.4308 -0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5779 0.6321 3.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2257 0.8121 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4684 0.6701 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 0.0447 -2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0954 -0.8041 -1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 2 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 9 3 1 0 17 10 1 0 4 19 1 0 5 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 12 24 1 0 13 25 1 0 15 26 1 0 16 27 1 0 18 28 1 0 M END