HMDB0036954 RDKit 3D Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl... 226237 0 0 0 0 0 0 0 0999 V2000 -6.7942 -1.3846 6.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7212 -0.3494 5.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3492 0.7206 5.9081 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9924 -0.5217 4.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9043 0.4327 3.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4972 0.9332 3.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5694 -0.2194 3.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1328 1.6747 2.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4811 1.1578 1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6677 0.0561 0.9135 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6374 0.1128 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5433 1.2579 -0.6021 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6942 -0.9225 -0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3443 -1.7515 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5472 -2.4570 -0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0343 -3.5293 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 -3.7614 1.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1144 -4.8406 -0.7270 C 0 0 0 0 0 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