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CHEBI:68018 - nigrasin G

ChEBI IDCHEBI:68018
ChEBI Namenigrasin G
Stars
DefinitionAn extended flavonoid that is 5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one substituted by hydroxy groups at positions 1, 3, 8 and 10a and a 3-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-12-yl group at position 5a. It has been isolated from the twigs of Morus nigra.
Last Modified9 January 2014
DownloadsMolfile
FormulaC30H34O8
Net Charge0
Average Mass522.594
Monoisotopic Mass522.22537
SMILESC=C(C)C(O)CC/C(C)=C/CC/C(C)=C/C[C@@]12Oc3cc(O)cc(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12
InChIInChI=1S/C30H34O8/c1-17(2)23(33)11-8-18(3)6-5-7-19(4)12-13-29-22-10-9-20(31)15-25(22)38-30(29,36)28(35)27-24(34)14-21(32)16-26(27)37-29/h6,9-10,12,14-16,23,31-34,36H,1,5,7-8,11,13H2,2-4H3/b18-6+,19-12+/t23?,29-,30-/m0/s1
InChIKeyIZSBTQUUESEKPV-GOMYMHFFSA-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 G (CHEBI:68018) has role plant metabolite (CHEBI:76924)
nigrasin G (CHEBI:68018) is a extended flavonoid (CHEBI:71037)
nigrasin G (CHEBI:68018) is a organic heterotetracyclic compound (CHEBI:38163)
nigrasin G (CHEBI:68018) is a polyphenol (CHEBI:26195)
IUPAC Name 
(5aS,10aR)-1,3,8,10a-tetrahydroxy-5a-[(2E,6E)-10-hydroxy-3,7,11-trimethyldodeca-2,6,11-trien-1-yl]-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one
Registry NumbersSources
Reaxys:21444295Reaxys
Citations