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CHEBI:210600 - Dahliane G

ChEBI IDCHEBI:210600
ChEBI NameDahliane G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC(=O)OCC1=C2C=C3[C@H](O)[C@@H](O)[C@H](C(C)C)[C@@]3(C)CC[C@]2(C)CCC1=O
InChIInChI=1S/C22H32O5/c1-12(2)18-20(26)19(25)16-10-15-14(11-27-13(3)23)17(24)6-7-21(15,4)8-9-22(16,18)5/h10,12,18-20,25-26H,6-9,11H2,1-5H3/t18-,19-,20-,21-,22-/m0/s1
InChIKeyVLKWNDNCESOJPC-YFNVTMOMSA-N
Species of MetaboliteComponentSourceComments
Verticillium dahliae (ncbitaxon:27337) - PubMed (30659876)
ChEBI Ontology
Outgoing Relation(s)
Dahliane G (CHEBI:210600) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1S,2S,3R,3aR,5aR)-1,2-dihydroxy-3a,5a-dimethyl-8-oxo-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-benzo[]azulen-9-yl]methyl acetate