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CHEBI:189975 - Uralenolide

ChEBI IDCHEBI:189975
ChEBI NameUralenolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O4
Net Charge0
Average Mass468.678
Monoisotopic Mass468.32396
SMILES[H][C@]12C=CC3=C4C[C@@]5(C)C[C@]([H])(OC5=O)[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@]1(C)CO
InChIInChI=1S/C30H44O4/c1-25-15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(16-25)34-24(25)33/h7-8,20-23,31-32H,9-17H2,1-6H3/t20-,21-,22+,23+,25+,26-,27+,28-,29-,30-/m1/s1
InChIKeyRIARKSMMKCXBML-MTKVKGGCSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Uralenolide (CHEBI:189975) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,2R,5S,6R,9R,10S,11S,14S,15R,21S)-11-hydroxy-10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracosa-16,18-dien-22-one
Manual XrefsDatabases
2340006ChemSpider
Registry NumbersSources
CAS:111150-27-7ChemIDplus