CHEBI:131837 - sterebin L

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ChEBI Name sterebin L
ChEBI ID CHEBI:131837
Definition A labdane diterpenoid with formula C21H36O4, originally isolated from the seeds of Oryza sativa.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H36O4
Net Charge 0
Average Mass 352.509
Monoisotopic Mass 352.26136
InChI InChI=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
InChIKey KOMLQPBMYPUDGX-GPLUPSNSSA-N
SMILES C1([C@]2([C@](CCC1)([C@H]([C@@]([C@H]([C@@H]2O)O)(O)C)/C=C/C(=C\COC)/C)C)[H])(C)C
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in seed (BTO:0001226). See: PubMed
Oryza sativa (NCBI:txid4530) Found in seed (BTO:0001226). See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 Xref Database
C00045083 KNApSAcK
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Registry Numbers Types Sources
638198-85-3 CAS Registry Number KNApSAcK
9729242 Reaxys Registry Number Reaxys
Last Modified
05 December 2016