HMDB0032707 RDKit 3D Dalbergioidin 33 35 0 0 0 0 0 0 0 0999 V2000 0.1991 -0.9220 1.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4654 -0.2530 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9103 -0.0308 0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 -0.8534 0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 -1.9101 1.6919 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 -0.5539 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6019 0.5163 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8935 0.8373 -0.5413 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 1.3011 -0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2327 1.0157 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 1.8300 -1.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0915 1.7624 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4431 0.3021 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 0.0024 -0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4688 -0.3016 -1.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7824 -0.7290 -1.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5507 -0.8741 -0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8941 -1.2972 -0.6429 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9842 -0.5911 0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6533 -0.1656 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1305 0.1069 1.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3425 -2.4897 2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 -1.1379 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7554 0.4052 -0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7851 2.1411 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8098 2.2267 -1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1107 2.2621 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 -0.1626 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8713 -0.2049 -2.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2283 -0.9563 -2.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5994 -0.5933 -0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5683 -0.6888 1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7329 0.0059 2.7762 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 4 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 13 2 1 0 20 14 1 0 10 3 1 0 5 22 1 0 6 23 1 0 8 24 1 0 9 25 1 0 12 26 1 0 12 27 1 0 13 28 1 0 15 29 1 0 16 30 1 0 18 31 1 0 19 32 1 0 21 33 1 0 M END