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CHEBI:226114 - Microketide A

ChEBI IDCHEBI:226114
ChEBI NameMicroketide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O4
Net Charge0
Average Mass276.332
Monoisotopic Mass276.13616
SMILESCC1=C(Cc2c(C)cccc2O)C(=O)[C@@](C)(O)[C@@H](O)C1
InChIInChI=1S/C16H20O4/c1-9-5-4-6-13(17)11(9)8-12-10(2)7-14(18)16(3,20)15(12)19/h4-6,14,17-18,20H,7-8H2,1-3H3/t14-,16-/m0/s1
InChIKeyCBYCXFOHWXIUGV-HOCLYGCPSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsisspecies RA10-14 (ncbitaxon:1686050) - PubMed (32243151)
ChEBI Ontology
Outgoing Relation(s)
Microketide A (CHEBI:226114) is a hydroxytoluene (CHEBI:24751)
IUPAC Name 
(5S,6S)-5,6-dihydroxy-2-[(2-hydroxy-6-methylphenyl)methyl]-3,6-dimethylcyclohex-2-en-1-one
Manual XrefsDatabases
84389619ChemSpider