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CHEBI:187474 - (+)-Scalarin

ChEBI IDCHEBI:187474
ChEBI Name(+)-Scalarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O4
Net Charge0
Average Mass402.575
Monoisotopic Mass402.27701
SMILES[H][C@]12C(=CCC3[C@]4(C)CCC5C(C)(C)CCC[C@]5(C)C4C[C@H](O)[C@@]31C)C(=O)O[C@H]2O
InChIInChI=1S/C25H38O4/c1-22(2)10-6-11-23(3)15(22)9-12-24(4)16-8-7-14-19(21(28)29-20(14)27)25(16,5)18(26)13-17(23)24/h7,15-19,21,26,28H,6,8-13H2,1-5H3/t15?,16?,17?,18-,19+,21+,23-,24-,25+/m0/s1
InChIKeyATVQOEWPZTUPDT-BEVUIORBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(+)-Scalarin (CHEBI:187474) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
(1R,5bR,11aS,13S,13aS,13bR)-1,13-dihydroxy-5b,8,8,11a,13a-pentamethyl-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzouran-3-one
Manual XrefsDatabases
24846836ChemSpider