HMDB0253636 RDKit 3D Isoflavanone 29 31 0 0 0 0 0 0 0 0999 V2000 0.0694 0.9774 -1.7527 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 0.4774 -0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 0.3378 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 1.1042 -1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2099 0.9771 -0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6209 0.0259 -0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 -0.7679 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3638 -0.6016 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4219 -1.3549 1.0835 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 -1.3915 0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 0.0084 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8277 0.0549 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7016 0.7967 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0516 0.8830 0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5209 0.2059 -0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -0.5359 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3163 -0.6250 -1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 1.8314 -1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9012 1.6001 -1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7008 -0.0945 0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0651 -1.5096 1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1715 -2.0871 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5516 -1.7442 1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 0.6214 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3731 1.3569 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7281 1.4696 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5612 0.2521 -0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 -1.0582 -2.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 -1.2096 -1.6540 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 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 11 2 1 0 17 12 1 0 8 3 1 0 4 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 10 22 1 0 10 23 1 0 11 24 1 0 13 25 1 0 14 26 1 0 15 27 1 0 16 28 1 0 17 29 1 0 M END