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CHEBI:185434 - Stoloniferone A

ChEBI IDCHEBI:185434
ChEBI NameStoloniferone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O3
Net Charge0
Average Mass426.641
Monoisotopic Mass426.31340
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])C[C@@]2([H])O[C@]23CC=CC(=O)[C@@]31C
InChIInChI=1S/C28H42O3/c1-16(2)17(3)9-10-18(4)20-11-12-21-19-14-24-28(31-24)13-7-8-23(30)27(28,6)25(19)22(29)15-26(20,21)5/h7-8,16,18-22,24-25,29H,3,9-15H2,1-2,4-6H3/t18-,19+,20-,21+,22-,24-,25-,26-,27-,28-/m1/s1
InChIKeyBXTRMZFDQUQQDL-XPVRLNRQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Stoloniferone A (CHEBI:185434) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,2R,7S,9R,11S,12S,15R,16R,18R)-18-hydroxy-2,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Manual XrefsDatabases
10286600ChemSpider
LMST01031071LIPID MAPS