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CHEBI:215905 - (2R,3S,4S,5E,7S)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one

ChEBI IDCHEBI:215905
ChEBI Name(2R,3S,4S,5E,7S)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O5
Net Charge0
Average Mass300.395
Monoisotopic Mass300.19367
SMILESCCCCCCC[C@H]1OC(=O)CC[C@H](O)/C=C/[C@H](O)[C@@H]1O
InChIInChI=1S/C16H28O5/c1-2-3-4-5-6-7-14-16(20)13(18)10-8-12(17)9-11-15(19)21-14/h8,10,12-14,16-18,20H,2-7,9,11H2,1H3/b10-8+/t12-,13+,14-,16+/m1/s1
InChIKeyNGMQJZCKXKTQID-QEKAVKJKSA-N
Species of MetaboliteComponentSourceComments
Xylaria feejeensis (ncbitaxon:498163) - PubMed (30295992)
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5E,7S)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one (CHEBI:215905) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2R,3S,4S,5E,7S)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one
Manual XrefsDatabases
71048455ChemSpider