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CHEBI:200204 - Caryophyllose

ChEBI IDCHEBI:200204
ChEBI NameCaryophyllose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H24O8
Net Charge0
Average Mass296.316
Monoisotopic Mass296.14712
SMILESC[C@@H](O)[C@@H](O)[C@@H](O)C[C@H](O)[C@@]1(O)C[C@@H](O)C(O)O[C@@H]1C
InChIInChI=1S/C12H24O8/c1-5(13)10(17)7(14)3-9(16)12(19)4-8(15)11(18)20-6(12)2/h5-11,13-19H,3-4H2,1-2H3/t5-,6-,7+,8-,9+,10-,11?,12-/m1/s1
InChIKeyCOAMNWKAJPDNHU-LPLXUCFQSA-N
Species of MetaboliteComponentSourceComments
Trinickia caryophylli (ncbitaxon:28094) - DOI (10.1016/0008-6215(95)00127-f)
ChEBI Ontology
Outgoing Relation(s)
Caryophyllose (CHEBI:200204) is a hexose (CHEBI:18133)
IUPAC Name 
(1S,3S,4R,5R)-1-[(2R,3S,5R)-3,5,6-trihydroxy-2-methyloxan-3-yl]hexane-1,3,4,5-tetrol
Manual XrefsDatabases
9658141ChemSpider