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CHEBI:204971 - Caryose

ChEBI IDCHEBI:204971
ChEBI NameCaryose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O7
Net Charge0
Average Mass236.220
Monoisotopic Mass236.08960
SMILESC[C@]1(O)[C@H](O)[C@@H](O)[C@H](O)[C@@]1(O)CC(O)C=O
InChIInChI=1S/C9H16O7/c1-8(15)6(13)5(12)7(14)9(8,16)2-4(11)3-10/h3-7,11-16H,2H2,1H3/t4?,5-,6-,7+,8+,9+/m1/s1
InChIKeyADIPDRPBEZELRZ-ICPASMAVSA-N
Species of MetaboliteComponentSourceComments
Trinickia caryophylli (ncbitaxon:28094) - DOI (10.1016/0008-6215(96)00018-3)
ChEBI Ontology
Outgoing Relation(s)
Caryose (CHEBI:204971) is a cyclopentanols (CHEBI:23495)
IUPAC Name 
2-hydroxy-3-[(1S,2S,3R,4R,5S)-1,2,3,4,5-pentahydroxy-2-methylcyclopentyl]propanal
Manual XrefsDatabases
78437222ChemSpider