HMDB0036956 RDKit 3D Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[rhamnosy... 242254 0 0 0 0 0 0 0 0999 V2000 -6.0200 6.9206 -2.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3146 5.6336 -2.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0536 4.9666 -1.3937 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8834 5.0674 -3.6341 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2128 3.8599 -3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9148 2.7981 -4.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9006 2.0511 -3.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 1.9375 -5.0552 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0084 1.6289 -3.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4909 0.3855 -4.3818 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9809 -0.7404 -3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8878 -0.6694 -2.9064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5506 -2.1457 -4.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5768 -2.1293 -5.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9022 -3.3649 -6.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4105 -3.0730 -6.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -2.2311 -7.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3332 -4.3478 -6.1635 C 0 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