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CHEBI:230994 - O-2545 (hydrochloride)

ChEBI IDCHEBI:230994
ChEBI NameO-2545 (hydrochloride)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36N2O2
Net Charge0
Average Mass408.586
Monoisotopic Mass408.27768
SMILESCC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCn3ccnc3)cc1OC2(C)C
InChIInChI=1S/C26H36N2O2/c1-18-8-9-21-20(14-18)24-22(29)15-19(16-23(24)30-26(21,4)5)25(2,3)10-6-7-12-28-13-11-27-17-28/h8,11,13,15-17,20-21,29H,6-7,9-10,12,14H2,1-5H3/t20-,21-/m1/s1
InChIKeyRZGSWWCABDVBGX-NHCUHLMSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
O-2545 (hydrochloride) (CHEBI:230994) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(6aR,10aR)-3-(6-imidazol-1-yl-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Manual XrefsDatabases
22938186ChemSpider