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CHEBI:210594 - Dahliane F

ChEBI IDCHEBI:210594
ChEBI NameDahliane F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC(=O)O[C@@H]1[C@@H](O)C2=CC3=C(CO)C(=O)CC[C@@]3(C)CC[C@]2(C)[C@H]1C(C)C
InChIInChI=1S/C22H32O5/c1-12(2)18-20(27-13(3)24)19(26)16-10-15-14(11-23)17(25)6-7-21(15,4)8-9-22(16,18)5/h10,12,18-20,23,26H,6-9,11H2,1-5H3/t18-,19-,20-,21-,22-/m0/s1
InChIKeyBEMZAUOOVKSYLX-YFNVTMOMSA-N
Species of MetaboliteComponentSourceComments
Verticillium dahliae (ncbitaxon:27337) - PubMed (30659876)
ChEBI Ontology
Outgoing Relation(s)
Dahliane F (CHEBI:210594) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1S,2S,3R,3aR,5aR)-1-hydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-8-oxo-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-benzo[]azulen-2-yl] acetate