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CHEBI:210588 - Dahliane E

ChEBI IDCHEBI:210588
ChEBI NameDahliane E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O6
Net Charge0
Average Mass418.530
Monoisotopic Mass418.23554
SMILESCC(=O)OCC1=C2C=C3[C@H](O)[C@@H](OC(C)=O)[C@H](C(C)C)[C@@]3(C)CC[C@]2(C)CCC1=O
InChIInChI=1S/C24H34O6/c1-13(2)20-22(30-15(4)26)21(28)18-11-17-16(12-29-14(3)25)19(27)7-8-23(17,5)9-10-24(18,20)6/h11,13,20-22,28H,7-10,12H2,1-6H3/t20-,21-,22-,23-,24-/m0/s1
InChIKeyDPDKYSLRHMXPJB-LSBAASHUSA-N
Species of MetaboliteComponentSourceComments
Verticillium dahliae (ncbitaxon:27337) - PubMed (30659876)
ChEBI Ontology
Outgoing Relation(s)
Dahliane E (CHEBI:210588) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1S,2S,3R,3aR,5aR)-2-acetyloxy-1-hydroxy-3a,5a-dimethyl-8-oxo-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-benzo[]azulen-9-yl]methyl acetate