EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209812 - Banksialactone B

ChEBI IDCHEBI:209812
ChEBI NameBanksialactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1cc(O)c2c(c1C)[C@](C)(O)[C@H](C)OC2=O
InChIInChI=1S/C13H16O5/c1-6-9(17-4)5-8(14)10-11(6)13(3,16)7(2)18-12(10)15/h5,7,14,16H,1-4H3/t7-,13+/m0/s1
InChIKeyQIWHCAJJZMZSLM-WPPNPWJKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus banksianus (ncbitaxon:2175282) - PubMed (29920099)
ChEBI Ontology
Outgoing Relation(s)
Banksialactone B (CHEBI:209812) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S,4S)-4,8-dihydroxy-6-methoxy-3,4,5-trimethyl-3H-isochromen-1-one
Manual XrefsDatabases
78439094ChemSpider