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CHEBI:175970 - 4,5-Dihydroniveusin A

ChEBI IDCHEBI:175970
ChEBI Name4,5-Dihydroniveusin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O8
Net Charge0
Average Mass396.436
Monoisotopic Mass396.17842
SMILES[H][C@@]12CC(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@]1([H])C(=C)C(=O)O2)O3
InChIInChI=1S/C20H28O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h5,12-16,21-22,25H,3,6-9H2,1-2,4H3/b10-5-/t12?,13-,14-,15+,16-,19-,20-/m1/s1
InChIKeySNUZCOSRHAIVKC-KABXGVFYSA-N
ChEBI Ontology
Outgoing Relation(s)
4,5-Dihydroniveusin A (CHEBI:175970) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(1R,4R,8R,9R,11R,12S)-1,12-dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] (Z)-2-methylbut-2-enoate