HMDB0036951 RDKit 3D Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[glucos... 246258 0 0 0 0 0 0 0 0999 V2000 -5.8602 2.6314 -7.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1758 1.8744 -6.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 1.0933 -6.3571 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4846 1.9669 -4.6766 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7914 1.2124 -3.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1103 2.2073 -2.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8281 3.5473 -2.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7628 1.7729 -1.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 0.3948 -1.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -0.2525 -0.3821 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4571 -1.2616 -0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1474 -1.5005 -1.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9546 -1.8613 0.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1734 -2.5557 1.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6729 -3.5633 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7128 -4.3672 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2251 -4.5483 -1.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6865 -5.7801 0.2046 C 0 0 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