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CHEBI:199721 - Caryophyllan

ChEBI IDCHEBI:199721
ChEBI NameCaryophyllan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H28O8
Net Charge0
Average Mass324.370
Monoisotopic Mass324.17842
SMILESCOC1OC(C)C(O)([C@@H](O)C[C@H](OC)[C@H](O)[C@@H](C)O)CC1O
InChIInChI=1S/C14H28O8/c1-7(15)12(18)10(20-3)5-11(17)14(19)6-9(16)13(21-4)22-8(14)2/h7-13,15-19H,5-6H2,1-4H3/t7-,8?,9?,10+,11+,12-,13?,14?/m1/s1
InChIKeyDPJADXJMXJQMMX-RTIOCKPSSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (11578636)
ChEBI Ontology
Outgoing Relation(s)
Caryophyllan (CHEBI:199721) is a hexose (CHEBI:18133)
IUPAC Name 
(1S,3S,4R,5R)-1-(3,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)-3-methoxyhexane-1,4,5-triol
Manual XrefsDatabases
78445047ChemSpider