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CHEBI:192907 - Bractein

ChEBI IDCHEBI:192907
ChEBI NameBractein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O12
Net Charge0
Average Mass464.379
Monoisotopic Mass464.09548
SMILESO=C1/C(=C/c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c21
InChIInChI=1S/C21H20O12/c22-6-14-18(28)19(29)20(30)21(33-14)32-12-5-8(23)4-11-15(12)17(27)13(31-11)3-7-1-9(24)16(26)10(25)2-7/h1-5,14,18-26,28-30H,6H2/b13-3-
InChIKeyCNLUHMGCIFZWFM-DXNYSGJVSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Bractein (CHEBI:192907) is a aurones (CHEBI:72576)
Bractein (CHEBI:192907) is a glycoside (CHEBI:24400)
IUPAC Name 
(2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzouran-3-one
Manual XrefsDatabases
4534030ChemSpider