HMDB0036616 RDKit 3D Pseudobaptigenin 31 34 0 0 0 0 0 0 0 0999 V2000 -0.6527 1.0898 -1.6931 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9659 0.3897 -0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0393 -0.2047 0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -0.0536 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8658 -0.1916 -1.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2245 -0.0381 -1.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0845 0.2441 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5788 0.3817 0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2108 0.2308 0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 0.6591 1.5972 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8656 0.2546 0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4757 0.4443 -0.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 -0.9449 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -1.0889 1.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7416 -0.5460 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0921 -0.6978 0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0252 -0.1019 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3856 -0.2563 0.2747 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6185 0.6577 -1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2648 0.8019 -1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 0.2122 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 -0.4128 -2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6324 -0.1458 -2.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8558 0.3466 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 0.8662 1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9798 -0.8296 1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1203 -1.4534 1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4406 -1.2872 1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 -0.8151 1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3635 1.1016 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9149 1.3874 -2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 3 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 21 2 1 0 9 4 1 0 21 15 1 0 12 7 1 0 5 22 1 0 6 23 1 0 9 24 1 0 11 25 1 0 11 26 1 0 13 27 1 0 16 28 1 0 18 29 1 0 19 30 1 0 20 31 1 0 M END