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CHEBI:131837 - sterebin L

ChEBI IDCHEBI:131837
ChEBI Namesterebin L
Stars
DefinitionA labdane diterpenoid with formula C21H36O4, originally isolated from the seeds of Oryza sativa .
Last Modified5 December 2016
Submittermwilliams
DownloadsMolfile
FormulaC21H36O4
Net Charge0
Average Mass352.515
Monoisotopic Mass352.26136
SMILES[H][C@@]12[C@@H](O)[C@H](O)[C@@](C)(O)[C@H](/C=C/C(C)=C\COC)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C21H36O4/c1-14(10-13-25-6)8-9-15-20(4)12-7-11-19(2,3)17(20)16(22)18(23)21(15,5)24/h8-10,15-18,22-24H,7,11-13H2,1-6H3/b9-8+,14-10-/t15-,16-,17+,18+,20-,21+/m1/s1
InChIKeyKOMLQPBMYPUDGX-GPLUPSNSSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530)
seed (BTO:0001226) MetaboLights (MTBLS287)
seed (BTO:0001226) PubMed (26860358)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
sterebin L (CHEBI:131837) has role plant metabolite (CHEBI:76924)
sterebin L (CHEBI:131837) is a ether (CHEBI:25698)
sterebin L (CHEBI:131837) is a labdane diterpenoid (CHEBI:36770)
sterebin L (CHEBI:131837) is a olefinic compound (CHEBI:78840)
sterebin L (CHEBI:131837) is a secondary alcohol (CHEBI:35681)
sterebin L (CHEBI:131837) is a tertiary alcohol (CHEBI:26878)
sterebin L (CHEBI:131837) is a triol (CHEBI:27136)
IUPAC Name 
(1R,2S,3S,4R,4aS,8aS)-4-[(1E,3Z)-5-methoxy-3-methylpenta-1,3-dien-1-yl]-3,4a,8,8-tetramethyldecahydronaphthalene-1,2,3-triol
Manual XrefsDatabases
C00045083KNApSAcK
Registry NumbersSources
Reaxys:9729242Reaxys
CAS:638198-85-3KNApSAcK