CHEBI:195290 - xyloketal D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name xyloketal D
ChEBI ID CHEBI:195290
Definition A xyloketal with formula C15H18O4. It was initially isolated from the mangrove fungus Xylaria sp. from the South China sea coast.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H18O4
Net Charge 0
Average Mass 262.305
Monoisotopic Mass 262.12051
InChI InChI=1S/C15H18O4/c1-8-7-18-15(3)12(8)6-11-13(19-15)5-4-10(9(2)16)14(11)17/h4-5,8,12,17H,6-7H2,1-3H3/t8-,12+,15+/m1/s1
InChIKey IIAGASOFCPRGKH-XHYYPMHDSA-N
SMILES [H][C@@]12CC3=C(O[C@]1(C)OC[C@H]2C)C=CC(C(C)=O)=C3O
Metabolite of Species Details
Xylaria sp. 2508 (NCBI:txid598750) See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
(via xyloketal )
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
(via xyloketal )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing xyloketal D (CHEBI:195290) is a methyl ketone (CHEBI:51867)
xyloketal D (CHEBI:195290) is a organic heterotricyclic compound (CHEBI:26979)
xyloketal D (CHEBI:195290) is a organic hydroxy compound (CHEBI:33822)
xyloketal D (CHEBI:195290) is a xyloketal (CHEBI:195287)
IUPAC Name
1-[(3S,3aS,9aS)-5-hydroxy-3,9a-dimethyl-2,3,3a,9a-tetrahydro-4H-furo[2,3-b]chromen-6-yl]ethanone
Synonym Source
1-[(3S,3aS,9aS)-5-hydroxy-3,9a-dimethyl-2,3,3a,9a-tetrahydro-4H-furo[2,3-b][1]benzopyran-6-yl]ethan-1-one IUPAC
Citations Waiting for Citations Types Sources
11559170 PubMed citation Europe PMC
23428314 PubMed citation Europe PMC
31840992 PubMed citation Europe PMC
33600149 PubMed citation Europe PMC
Last Modified
08 June 2023