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CHEBI:233479 - cortisol 21-glucuronide

ChEBI IDCHEBI:233479
ChEBI Namecortisol 21-glucuronide
Stars
Submittermwilliams
DownloadsMolfile
FormulaC27H38O11
Net Charge0
Average Mass538.590
Monoisotopic Mass538.24141
SMILES[H][C@@]12CC[C@](O)(C(=O)CO[C@H]3O[C@@H](C(=O)O)C(O)[C@@H](O)C3O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C27H38O11/c1-25-7-5-13(28)9-12(25)3-4-14-15-6-8-27(36,26(15,2)10-16(29)18(14)25)17(30)11-37-24-21(33)19(31)20(32)22(38-24)23(34)35/h9,14-16,18-22,24,29,31-33,36H,3-8,10-11H2,1-2H3,(H,34,35)/t14-,15-,16-,18+,19+,20?,21?,22+,24-,25-,26-,27-/m0/s1
InChIKeySXDBDFVHISOKJP-DAMGXPGDSA-N
ChEBI Ontology
Outgoing Relation(s)
cortisol 21-glucuronide (CHEBI:233479) is a steroid glucosiduronic acid (CHEBI:26763)