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CHEBI:217553 - Tubakialactone C

ChEBI IDCHEBI:217553
ChEBI NameTubakialactone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O5
Net Charge0
Average Mass236.223
Monoisotopic Mass236.06847
SMILESC=C1OC(=O)c2c(O)cc(OC)cc2[C@]1(C)O
InChIInChI=1S/C12H12O5/c1-6-12(2,15)8-4-7(16-3)5-9(13)10(8)11(14)17-6/h4-5,13,15H,1H2,2-3H3/t12-/m1/s1
InChIKeyUAXBDVNUMIDGTI-GFCCVEGCSA-N
Species of MetaboliteComponentSourceComments
Tubakia (ncbitaxon:881292) - DOI (10.1016/j.tetlet.2017.04.076)
ChEBI Ontology
Outgoing Relation(s)
Tubakialactone C (CHEBI:217553) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(4S)-4,8-dihydroxy-6-methoxy-4-methyl-3-methylideneisochromen-1-one
Manual XrefsDatabases
78439386ChemSpider