HMDB0036950 RDKit 3D Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl... 243255 0 0 0 0 0 0 0 0999 V2000 9.6587 2.5839 -3.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0820 1.2371 -3.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8733 0.3048 -4.1427 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6924 1.0157 -3.7548 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2706 -0.3075 -4.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 -0.2188 -5.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9418 -1.5539 -5.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5351 0.7607 -5.1869 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5544 0.5413 -4.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0818 1.8530 -3.8997 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 2.3752 -4.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 1.5503 -5.3215 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 3.6959 -4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 4.6167 -5.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0601 5.5797 -4.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5443 5.1068 -2.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 4.3612 -2.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8817 6.4016 -2.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 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