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CHEBI:207166 - Virgineol

ChEBI IDCHEBI:207166
ChEBI NameVirgineol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O7
Net Charge0
Average Mass332.393
Monoisotopic Mass332.18350
SMILESCO[C@]1(CC(C)C)OC[C@@]2(O)[C@H]3CC[C@](C)(O)[C@@H](O)[C@H]3O[C@@]12O
InChIInChI=1S/C16H28O7/c1-9(2)7-15(21-4)16(20)14(19,8-22-15)10-5-6-13(3,18)12(17)11(10)23-16/h9-12,17-20H,5-8H2,1-4H3/t10-,11-,12-,13-,14+,15+,16+/m0/s1
InChIKeyNGTUFCAUEDFMDI-XZEYQLJZSA-N
Species of MetaboliteComponentSourceComments
Amanita (ncbitaxon:41955) - PubMed (23449206)
ChEBI Ontology
Outgoing Relation(s)
Virgineol (CHEBI:207166) is a furofuran (CHEBI:47790)
IUPAC Name 
(3R,3aR,4aS,5S,6S,8aS,8bS)-3-methoxy-6-methyl-3-(2-methylpropyl)-1,4a,5,7,8,8a-hexahydrouro[3,4-b][1]benzouran-3a,5,6,8b-tetrol
Manual XrefsDatabases
78437885ChemSpider