HMDB0041215 RDKit 3D Betavulgarin glucoside 56 60 0 0 0 0 0 0 0 0999 V2000 5.0910 -2.5715 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1918 -1.6954 -1.9766 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 -0.4359 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 0.5949 -1.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6519 1.8501 -1.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6614 2.0750 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 1.0283 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 1.1958 0.9452 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 0.2079 1.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 -1.0725 0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3764 -2.0880 1.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8059 -3.3173 1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0602 -4.2681 2.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4141 -3.9981 2.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8761 -2.7497 1.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -1.8097 1.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 -0.5951 0.9726 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7118 -0.0646 0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1041 -0.0007 -0.4385 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 1.2269 -0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 1.1027 -2.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2812 2.3434 -2.8452 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6768 1.6832 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2659 2.8035 -0.6374 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1544 1.9593 1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1544 1.7370 2.2512 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8915 1.2050 1.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8309 2.0787 1.6313 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2463 -1.2825 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4077 -2.4131 -0.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0397 -0.2441 -0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5522 2.7428 -1.8492 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4364 1.9847 -2.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8666 0.6858 -2.7607 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1438 -2.2807 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7629 -3.6364 -1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1197 -2.4718 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5341 3.0674 0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3979 0.4523 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -3.5804 1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3336 -5.2176 2.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 -4.7125 2.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9391 -2.5868 1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4424 -0.7969 1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6908 1.9817 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6606 0.3415 -2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9659 0.8012 -2.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1406 2.2647 -3.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3544 0.8081 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 2.8567 -0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9505 3.0691 1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5377 2.5667 2.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0062 0.9097 2.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 1.8120 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 1.9488 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4672 2.5044 -3.6420 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 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 10 29 1 0 29 30 2 0 29 31 1 0 5 32 1 0 32 33 1 0 33 34 1 0 31 3 1 0 34 4 1 0 31 7 2 0 16 11 1 0 27 18 1 0 1 35 1 0 1 36 1 0 1 37 1 0 6 38 1 0 9 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 18 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 25 51 1 0 26 52 1 0 27 53 1 0 28 54 1 0 33 55 1 0 33 56 1 0 M END