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CHEBI:219828 - Sterebin R

ChEBI IDCHEBI:219828
ChEBI NameSterebin R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H36O5
Net Charge0
Average Mass356.503
Monoisotopic Mass356.25627
SMILESC/C(=C/C[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C)[C@H](O)CO
InChIInChI=1S/C20H36O5/c1-12(13(22)11-21)7-8-14-19(4)10-6-9-18(2,3)16(19)15(23)17(24)20(14,5)25/h7,13-17,21-25H,6,8-11H2,1-5H3/b12-7-/t13-,14-,15-,16+,17+,19-,20+/m1/s1
InChIKeyQGGRAHWRHLUOQO-YVMARZELSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - DOI (10.1016/j.tetlet.2015.05.092)
ChEBI Ontology
Outgoing Relation(s)
Sterebin R (CHEBI:219828) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,3S,4R,4aS,8aS)-4-[(Z,4S)-4,5-dihydroxy-3-methylpent-2-enyl]-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
Manual XrefsDatabases
78437639ChemSpider