HMDB0034049 RDKit 3D Pachyrrhizin 37 41 0 0 0 0 0 0 0 0999 V2000 1.3233 0.1577 3.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 0.2584 2.0447 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 0.2761 1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 0.1959 1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 0.2150 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9403 0.3169 -0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5814 0.3986 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 0.3778 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2215 0.4617 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7448 -0.3307 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -0.1594 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -0.9391 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3979 -0.7594 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5942 -1.3608 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6153 -0.7529 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0478 0.1797 -1.3298 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 0.2221 -1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7182 0.9903 -1.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 0.8207 -1.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4343 1.5717 -1.7926 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 1.4291 -1.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6995 2.1887 -1.9835 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0702 0.3166 -1.7503 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 -0.0192 -0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 0.1495 0.4132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 -0.0025 3.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 1.0803 3.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 -0.7551 3.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7031 0.1156 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3022 0.4779 -2.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4637 -1.0932 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8375 -1.7089 0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7118 -2.1889 0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6878 -1.0011 -0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9445 1.7678 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4553 -1.0857 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0303 0.6689 -1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 2 0 6 23 1 0 23 24 1 0 24 25 1 0 8 3 1 0 21 9 1 0 25 5 1 0 19 11 1 0 17 13 2 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 7 30 1 0 10 31 1 0 12 32 1 0 14 33 1 0 15 34 1 0 18 35 1 0 24 36 1 0 24 37 1 0 M END