Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 02:12:16 UTC
Update Date2022-12-15 22:51:44 UTC
Metabolite IDMMDBc0009783
Metabolite Identification
Common NameIsomarasmone
Description(1R,2S,6S,12R,15S)-2-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.0¹,⁶.0¹²,¹⁵]pentadec-8-ene-4,14-dione belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. 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 (1R,2S,6S,12R,15S)-2-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.0¹,⁶.0¹²,¹⁵]pentadec-8-ene-4,14-dione.
Structure
SynonymsNot Available
Molecular FormulaC15H18O5
Average Mass278.304
Monoisotopic Mass278.11542368
IUPAC Name(1R,2S,6S,12R,15S)-2-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.0^{1,6}.0^{12,15}]pentadec-8-ene-4,14-dione
Traditional Name(1R,2S,6S,12R,15S)-2-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.0^{1,6}.0^{12,15}]pentadec-8-ene-4,14-dione
CAS Registry NumberNot Available
SMILES
[H][C@@]12OCC3=CC[C@]4([H])[C@@](C(=O)O1)([C@@]23[H])[C@@]([H])(O)CC(=O)C4(C)C
InChI Identifier
InChI=1S/C15H18O5/c1-14(2)8-4-3-7-6-19-12-11(7)15(8,13(18)20-12)10(17)5-9(14)16/h3,8,10-12,17H,4-6H2,1-2H3/t8-,10-,11+,12+,15-/m0/s1
InChI KeyUUOCODHGILANAP-CDIFYPATSA-N