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CHEBI:166760 - 4-Hydroxyandrostenedione glucuronide

ChEBI IDCHEBI:166760
ChEBI Name4-Hydroxyandrostenedione glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O9
Net Charge0
Average Mass478.538
Monoisotopic Mass478.22028
SMILES[H][C@@]12CCC3=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C25H34O9/c1-24-10-8-15(26)20(33-23-19(30)17(28)18(29)21(34-23)22(31)32)14(24)4-3-11-12-5-6-16(27)25(12,2)9-7-13(11)24/h11-13,17-19,21,23,28-30H,3-10H2,1-2H3,(H,31,32)/t11-,12-,13-,17-,18-,19+,21-,23+,24+,25-/m0/s1
InChIKeyJIKFCHILHFFTSH-YALXHDRVSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxyandrostenedione glucuronide (CHEBI:166760) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[[(8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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113673ChemSpider
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