Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 20:25:09 UTC
Update Date2022-08-31 06:18:45 UTC
Metabolite IDMMDBc0001931
Metabolite Identification
Common NameSperadine B
DescriptionSperadine G belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. Based on a literature review very few articles have been published on Speradine G.
Structure
SynonymsNot Available
Molecular FormulaC16H18N2O3
Average Mass286.331
Monoisotopic Mass286.131742448
IUPAC Name(2R,6R)-1,3-dihydroxy-5,5,13-trimethyl-4,13-diazatetracyclo[6.6.1.0^{2,6}.0^{12,15}]pentadeca-3,8(15),9,11-tetraen-14-one
Traditional Name(2R,6R)-1,3-dihydroxy-5,5,13-trimethyl-4,13-diazatetracyclo[6.6.1.0^{2,6}.0^{12,15}]pentadeca-3,8(15),9,11-tetraen-14-one
CAS Registry NumberNot Available
SMILES
[H][C@@]12CC3=C4C(=CC=C3)N(C)C(=O)C4(O)[C@]1([H])C(O)=NC2(C)C
InChI Identifier
InChI=1S/C16H18N2O3/c1-15(2)9-7-8-5-4-6-10-11(8)16(21,14(20)18(10)3)12(9)13(19)17-15/h4-6,9,12,21H,7H2,1-3H3,(H,17,19)/t9-,12+,16?/m1/s1
InChI KeyNJNVLWKPNCWDDC-BVZBXKMVSA-N