HMDB0036959 RDKit 3D Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[glucos... 225236 0 0 0 0 0 0 0 0999 V2000 -10.2889 -5.1118 3.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9313 -4.5397 3.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8969 -5.1511 3.8749 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7344 -3.3224 2.8779 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4411 -2.7053 2.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2975 -1.5295 3.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5394 -1.4395 4.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0994 -0.3032 3.1078 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2986 -0.2625 2.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0123 -0.7234 2.2591 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8547 0.0481 2.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1344 1.2022 1.6012 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5489 -0.4700 2.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7304 -1.1784 3.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3658 -2.5078 3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8365 -3.3777 2.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5243 -4.0222 2.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7567 -4.5063 2.0749 C 0 0 0 0 0 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