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CHEBI:209830 - Banksialactone E

ChEBI IDCHEBI:209830
ChEBI NameBanksialactone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O8S
Net Charge0
Average Mass372.395
Monoisotopic Mass372.08789
SMILESCOc1cc(O)c2c(c1C)[C@H](C)C(O)(CSCC(O)C(=O)O)OC2=O
InChIInChI=1S/C16H20O8S/c1-7-11(23-3)4-9(17)13-12(7)8(2)16(22,24-15(13)21)6-25-5-10(18)14(19)20/h4,8,10,17-18,22H,5-6H2,1-3H3,(H,19,20)/t8-,10?,16?/m0/s1
InChIKeyLRFLSZUUMSTQQS-GTVJLWQTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus banksianus (ncbitaxon:2175282) - PubMed (29920099)
ChEBI Ontology
Outgoing Relation(s)
Banksialactone E (CHEBI:209830) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
3-[[(4S)-3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4H-isochromen-3-yl]methylsulanyl]-2-hydroxypropanoic acid
Manual XrefsDatabases
78439097ChemSpider