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CHEBI:199820 - 7,8-Dehydronorbotryal

ChEBI IDCHEBI:199820
ChEBI Name7,8-Dehydronorbotryal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O2
Net Charge0
Average Mass220.312
Monoisotopic Mass220.14633
SMILESCC1=CC(C)(C)[C@H]2C1=C(C=O)[C@H](C)C[C@@H]2O
InChIInChI=1S/C14H20O2/c1-8-5-11(16)13-12(10(8)7-15)9(2)6-14(13,3)4/h6-8,11,13,16H,5H2,1-4H3/t8-,11+,13-/m1/s1
InChIKeyMUCYVPPEJHYFEC-YDEJPDAXSA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (19160523)
ChEBI Ontology
Outgoing Relation(s)
7,8-Dehydronorbotryal (CHEBI:199820) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(5R,7S,7aS)-7-hydroxy-1,1,3,5-tetramethyl-5,6,7,7a-tetrahydroindene-4-carbaldehyde
Manual XrefsDatabases
78440791ChemSpider