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CHEBI:233237 - 3alpha,21-dihydroxy-5beta-pregnane-11,20-dione 21-glucuronide

ChEBI IDCHEBI:233237
ChEBI Name3alpha,21-dihydroxy-5beta-pregnane-11,20-dione 21-glucuronide
Stars
Submittermwilliams
DownloadsMolfile
FormulaC27H40O10
Net Charge0
Average Mass524.607
Monoisotopic Mass524.26215
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CCC(C(=O)COC5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C27H40O10/c1-26-8-7-13(28)9-12(26)3-4-14-15-5-6-16(27(15,2)10-17(29)19(14)26)18(30)11-36-25-22(33)20(31)21(32)23(37-25)24(34)35/h12-16,19-23,25,28,31-33H,3-11H2,1-2H3,(H,34,35)/t12-,13-,14+,15+,16?,19-,20+,21+,22-,23+,25?,26+,27+/m1/s1
InChIKeyYAICZXPNWGFCGW-NBBLSUIWSA-N
ChEBI Ontology
Outgoing Relation(s)
3alpha,21-dihydroxy-5beta-pregnane-11,20-dione 21-glucuronide (CHEBI:233237) is a steroid glucosiduronic acid (CHEBI:26763)