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CHEBI:211862 - Citrinal B

ChEBI IDCHEBI:211862
ChEBI NameCitrinal B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESCC1=C2[C@H](C)[C@@H](C)O[C@@]23O[C@@H](C)[C@H](C)O[C@@]3(O)CC1=O
InChIInChI=1S/C15H22O5/c1-7-9(3)19-15-13(7)8(2)12(16)6-14(15,17)18-10(4)11(5)20-15/h7,9-11,17H,6H2,1-5H3/t7-,9-,10+,11+,14+,15-/m1/s1
InChIKeyZKJBPMKFQZIISQ-LCWPMPFFSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum truncatum (ncbitaxon:5467) - DOI (10.1016/j.tetlet.2016.08.029)
ChEBI Ontology
Outgoing Relation(s)
Citrinal B (CHEBI:211862) is a ketal (CHEBI:59777)
IUPAC Name 
(2S,3S,4aS,8S,9R,10aR)-4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-uro[3,2-i][1,4]benzodioxin-6-one
Manual XrefsDatabases
78437454ChemSpider