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CHEBI:210582 - Dahliane K

ChEBI IDCHEBI:210582
ChEBI NameDahliane K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESCC(C)[C@H]1CC(=O)[C@@H]2[C@H]3OCC4=C3[C@@](C)(CCC4=O)CC[C@]12C
InChIInChI=1S/C20H28O3/c1-11(2)13-9-15(22)17-18-16-12(10-23-18)14(21)5-6-19(16,3)7-8-20(13,17)4/h11,13,17-18H,5-10H2,1-4H3/t13-,17-,18+,19+,20-/m1/s1
InChIKeyPAENSDUVNMUZGU-DFYPAZAZSA-N
Species of MetaboliteComponentSourceComments
Verticillium dahliae (ncbitaxon:27337) - PubMed (30659876)
ChEBI Ontology
Outgoing Relation(s)
Dahliane K (CHEBI:210582) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,2S,5R,6R,9R)-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-ene-3,12-dione