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CHEBI:215782 - Botryosphaerihydrofuran

ChEBI IDCHEBI:215782
ChEBI NameBotryosphaerihydrofuran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O2
Net Charge0
Average Mass218.296
Monoisotopic Mass218.13068
SMILESC[C@@H]1C=CC2=C[C@]34OC[C@@H](C)[C@@]3(C[C@@]21C)O4
InChIInChI=1S/C14H18O2/c1-9-4-5-11-6-14-13(16-14,8-12(9,11)3)10(2)7-15-14/h4-6,9-10H,7-8H2,1-3H3/t9-,10-,12-,13-,14-/m1/s1
InChIKeyKQKUUJCVSOPQBP-OMRXRXQOSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria (ncbitaxon:45132) - DOI (10.1016/j.tet.2009.10.084)
ChEBI Ontology
Outgoing Relation(s)
Botryosphaerihydrofuran (CHEBI:215782) is a dioxanes (CHEBI:46926)
IUPAC Name 
(1R,3R,4R,9R,12R)-3,4,12-trimethyl-10,13-dioxatetracyclo[7.3.1.01,9.03,7]trideca-5,7-diene
Manual XrefsDatabases
78438620ChemSpider