Virgineol (CHEBI:207166)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Virgineol

ChEBI ID	CHEBI:207166

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H28O7

Net Charge

Average Mass

332.393

Monoisotopic Mass

332.18350

InChI

InChI=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

InChIKey

NGTUFCAUEDFMDI-XZEYQLJZSA-N

SMILES

O1[C@]2(O)[C@@](O)(CO[C@]2(OC)CC(C)C)[C@@H]3[C@H]1[C@H](O)[C@@](O)(CC3)C

Metabolite of Species	Details
Amanita (NCBI:txid41955)	See: PubMed

ChEBI Ontology
Outgoing	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