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CHEBI:217925 - 3-epi-merulin A

ChEBI IDCHEBI:217925
ChEBI Name3-epi-merulin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESCC1(C)CCC(=O)[C@@]2(C)OO[C@H]3C[C@@]12CC[C@@H]3O
InChIInChI=1S/C14H22O4/c1-12(2)6-5-11(16)13(3)14(12)7-4-9(15)10(8-14)17-18-13/h9-10,15H,4-8H2,1-3H3/t9-,10-,13+,14-/m0/s1
InChIKeyQYJVCFQEMCWLHS-ZNIXKSQXSA-N
Species of MetaboliteComponentSourceComments
Pseudolagarobasidium acaciicola (ncbitaxon:386453) - PubMed (26701647)
ChEBI Ontology
Outgoing Relation(s)
3-epi-merulin A (CHEBI:217925) is a dioxanes (CHEBI:46926)
IUPAC Name 
(1S,6S,9S,10S)-10-hydroxy-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridecan-5-one
Manual XrefsDatabases
58197272ChemSpider