Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 20:45:08 UTC
Update Date2025-10-07 16:04:34 UTC
Metabolite IDMMDBc0002286
Metabolite Identification
Common NamePenicisochroman F
DescriptionPenicisochroman F is a member of the chemical class of chroman derivatives. There is limited literature available on this metabolite, indicating that further research may be needed to fully understand its properties and potential biological significance.
Structure
SynonymsNot Available
Molecular FormulaC16H20O4
Average Mass276.332
Monoisotopic Mass276.136159124
IUPAC Name(4S)-11-methoxy-11-methyl-4-(propan-2-yl)-3,12-dioxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7-trien-5-one
Traditional Name(4S)-4-isopropyl-11-methoxy-11-methyl-3,12-dioxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7-trien-5-one
CAS Registry NumberNot Available
SMILES
[H][C@]1(OC2=C(C=CC3=C2COC(C)(C3)OC)C1=O)C(C)C
InChI Identifier
InChI=1S/C16H20O4/c1-9(2)14-13(17)11-6-5-10-7-16(3,18-4)19-8-12(10)15(11)20-14/h5-6,9,14H,7-8H2,1-4H3/t14-,16?/m0/s1
InChI KeyUBHRGEKXMCFPAP-LBAUFKAWSA-N