Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:41:42 UTC
Update Date2022-08-31 06:43:57 UTC
Metabolite IDMMDBc0018520
Metabolite Identification
Common NameTramspiroin A
DescriptionTramspiroin A belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Based on a literature review very few articles have been published on Tramspiroin A.
Structure
SynonymsNot Available
Molecular FormulaC15H22O3
Average Mass250.338
Monoisotopic Mass250.156894568
IUPAC Name(3S,3aR,4'R,6S,7R,7aS)-4'-hydroxy-3,3',6-trimethyl-3,3a,4,5,6,7a-hexahydro-2H-spiro[1-benzofuran-7,1'-cyclopentan]-2'-en-2-one
Traditional Name(3S,3aR,4'R,6S,7R,7aS)-4'-hydroxy-3,3',6-trimethyl-3,3a,4,5,6,7a-hexahydrospiro[1-benzofuran-7,1'-cyclopentan]-2'-en-2-one
CAS Registry NumberNot Available
SMILES
[H][C@@]1(O)C[C@@]2(C=C1C)[C@@]1([H])OC(=O)[C@@]([H])(C)[C@@]1([H])CC[C@]2([H])C
InChI Identifier
InChI=1S/C15H22O3/c1-8-6-15(7-12(8)16)9(2)4-5-11-10(3)14(17)18-13(11)15/h6,9-13,16H,4-5,7H2,1-3H3/t9-,10-,11+,12+,13-,15+/m0/s1
InChI KeyYFEHCRSOHCIZLB-JSXSYOHWSA-N