HMDB0036274 RDKit 3D Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[xylosy... 224235 0 0 0 0 0 0 0 0999 V2000 -8.9051 -5.8108 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6496 -5.1624 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1822 -5.5317 1.8532 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0085 -4.1791 0.0236 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8275 -3.5802 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 -3.7714 -0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 -4.1425 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5065 -2.8439 -1.3877 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -1.5678 -1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0637 -0.8511 -0.3558 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3269 0.2416 -0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3671 0.6551 -1.8757 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4842 0.9336 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 1.3509 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4927 2.2602 0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8865 3.6111 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3513 4.5230 1.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2537 4.2463 -0.8925 C 0 0 0 0 0 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