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CHEBI:227043 - Flavoroseoside B

ChEBI IDCHEBI:227043
ChEBI NameFlavoroseoside B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17ClO8
Net Charge0
Average Mass360.746
Monoisotopic Mass360.06120
SMILESC[C@@H]1Cc2c(Cl)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(O)c2C(=O)O1
InChIInChI=1S/C15H17ClO8/c1-5-2-6-10(14(21)22-5)7(18)3-8(11(6)16)23-15-13(20)12(19)9(4-17)24-15/h3,5,9,12-13,15,17-20H,2,4H2,1H3/t5-,9-,12-,13-,15+/m1/s1
InChIKeyPJTWTEDKJNSLSF-NKLJSFOLSA-N
Species of MetaboliteComponentSourceComments
[Malbranchea flavorosea (ncbitaxon:465703) - PubMed (30018423)
ChEBI Ontology
Outgoing Relation(s)
Flavoroseoside B (CHEBI:227043) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R)-5-chloro-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78438860ChemSpider