HMDB0036957 RDKit 3D Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[rhamno... 245257 0 0 0 0 0 0 0 0999 V2000 -1.3411 -5.0506 -0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 -4.8655 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9777 -5.8645 1.0091 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 -3.6480 0.5418 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2898 -3.5412 1.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9936 -2.6788 2.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4953 -2.5068 2.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5563 -1.4433 2.5471 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8594 -0.8898 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6761 -0.6706 0.5347 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2599 0.6232 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9631 1.5433 0.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 0.9084 -0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 0.9787 -2.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9925 -0.3715 -2.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 -1.0979 -2.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1153 -2.5066 -3.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 -0.5170 -3.9518 C 0 0 0 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