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CHEBI:202541 - Sterebin Q3

ChEBI IDCHEBI:202541
ChEBI NameSterebin Q3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H36O6
Net Charge0
Average Mass372.502
Monoisotopic Mass372.25119
SMILESCC1(C)CCC[C@@]2(C)[C@H]1[C@@H](O)[C@H](O)[C@@](C)(O)[C@@H]2/C=C/[C@](C)(O)[C@H](O)CO
InChIInChI=1S/C20H36O6/c1-17(2)8-6-9-18(3)12(7-10-19(4,25)13(22)11-21)20(5,26)16(24)14(23)15(17)18/h7,10,12-16,21-26H,6,8-9,11H2,1-5H3/b10-7+/t12-,13-,14-,15+,16+,18-,19+,20+/m1/s1
InChIKeyFWILCTKPZALIAU-MPKAWLSPSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - DOI (10.1016/j.tetlet.2015.05.092)
ChEBI Ontology
Outgoing Relation(s)
Sterebin Q3 (CHEBI:202541) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,3S,4R,4aS,8aS)-3,4a,8,8-tetramethyl-4-[(E,3S,4R)-3,4,5-trihydroxy-3-methylpent-1-enyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
Manual XrefsDatabases
78436887ChemSpider