HMDB0036949 RDKit 3D Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[6-acet... 230241 0 0 0 0 0 0 0 0999 V2000 5.7428 -4.3582 0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0111 -3.2119 1.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2693 -3.3435 3.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9862 -1.9323 1.3318 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 -0.7609 2.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 -0.4820 3.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9572 -0.1894 2.7151 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9414 0.9229 1.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1744 0.7171 0.5735 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1485 1.1637 -0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4528 -0.0150 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -1.2120 -0.2134 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -2.0316 0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -3.2699 1.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 -1.6914 0.5293 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6773 -0.2310 -2.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 -1.1065 -2.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8315 0.8498 -3.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 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