HMDB0036953 RDKit 3D Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[6-acet... 251263 0 0 0 0 0 0 0 0999 V2000 -8.4378 0.6250 -5.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5765 1.7476 -5.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0877 2.7850 -6.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1949 1.6714 -5.5603 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3674 2.7278 -6.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9113 2.4027 -5.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4627 1.3029 -6.5103 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5718 0.4667 -5.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1207 -0.8125 -5.6571 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6077 -1.8162 -6.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6647 -2.5306 -7.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4755 -1.6619 -7.9803 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5183 -1.6966 -9.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3601 -0.7980 -10.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7735 -2.5670 -9.9136 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5075 -3.4297 -6.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5553 -2.6736 -5.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7567 -4.2987 -5.6281 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1 0 M END