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CHEBI:68015 - nigrasin D

ChEBI IDCHEBI:68015
ChEBI Namenigrasin D
Stars
DefinitionAn extended flavonoid that is the 2R*-diastereomer of nigrasin C. It has been isolated from the twigs of Morus nigra.
Last Modified1 October 2014
DownloadsMolfile
FormulaC25H26O8
Net Charge0
Average Mass454.475
Monoisotopic Mass454.16277
SMILES[H][C@]1(C(C)(C)O)Cc2c(cc3c(c2O)C(=O)[C@@]2(O)Oc4cc(O)ccc4[C@@]2(CC=C(C)C)O3)O1
InChIInChI=1S/C25H26O8/c1-12(2)7-8-24-15-6-5-13(26)9-17(15)33-25(24,30)22(28)20-18(32-24)11-16-14(21(20)27)10-19(31-16)23(3,4)29/h5-7,9,11,19,26-27,29-30H,8,10H2,1-4H3/t19-,24-,25-/m1/s1
InChIKeyTXDONVUXISPTKQ-UKDVSSAZSA-N
Species of MetaboliteComponentSourceComments
Morus nigra (ncbitaxon:85232) twig (BTO:0001411) PubMed (21401118) Milled, air-dried twigs were percolated with 95% ethanol
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)
nigrasin D (CHEBI:68015) has role plant metabolite (CHEBI:76924)
nigrasin D (CHEBI:68015) is a extended flavonoid (CHEBI:71037)
nigrasin D (CHEBI:68015) is a organic heteropentacyclic compound (CHEBI:38164)
nigrasin D (CHEBI:68015) is a polyphenol (CHEBI:26195)
IUPAC Name 
(2R*,5aS,10bR)-4,5a,8-trihydroxy-2-(2-hydroxypropan-2-yl)-10b-(3-methylbut-2-en-1-yl)-2,3,5a,10b-tetrahydro-5H-[1]benzofuro[3,2-b]furo[3,2-g]chromen-5-one
Registry NumbersSources
Reaxys:21444289Reaxys
Citations