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CHEBI:217547 - Tubakialactone B

ChEBI IDCHEBI:217547
ChEBI NameTubakialactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O6
Net Charge0
Average Mass252.222
Monoisotopic Mass252.06339
SMILESCOc1cc(O)c2c(=O)oc(CO)c(CO)c2c1
InChIInChI=1S/C12H12O6/c1-17-6-2-7-8(4-13)10(5-14)18-12(16)11(7)9(15)3-6/h2-3,13-15H,4-5H2,1H3
InChIKeyMSYZNJRZCAHSJU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Tubakia (ncbitaxon:881292) - DOI (10.1016/j.tetlet.2017.04.076)
ChEBI Ontology
Outgoing Relation(s)
Tubakialactone B (CHEBI:217547) is a isocoumarins (CHEBI:38758)
IUPAC Name 
8-hydroxy-3,4-bis(hydroxymethyl)-6-methoxyisochromen-1-one
Manual XrefsDatabases
78435284ChemSpider