HMDB0036955 RDKit 3D Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[glucos... 229240 0 0 0 0 0 0 0 0999 V2000 -9.9918 4.6369 -3.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9110 4.9642 -2.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9903 6.0250 -1.4096 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8120 4.1521 -1.8616 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8129 4.4514 -0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5167 4.6538 -1.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 4.9631 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3996 3.5830 -2.5657 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2398 2.3521 -2.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8426 2.1341 -1.7661 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0985 1.1742 -2.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7383 0.4231 -3.2015 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6485 0.8762 -2.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9622 1.6185 -3.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1241 2.7766 -2.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3091 3.4290 -1.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0308 4.0877 -1.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 4.6250 -1.9240 C 0 0 0 0 0 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