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CHEBI:210124 - Deconin B

ChEBI IDCHEBI:210124
ChEBI NameDeconin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILESCC1(C)CC(=O)C[C@]1(C)c1ccc(C(=O)OCC[C@@](C)(O)CC(=O)O)cc1
InChIInChI=1S/C21H28O6/c1-19(2)11-16(22)12-21(19,4)15-7-5-14(6-8-15)18(25)27-10-9-20(3,26)13-17(23)24/h5-8,26H,9-13H2,1-4H3,(H,23,24)/t20-,21-/m1/s1
InChIKeyWOXSROLDXSRULX-NHCUHLMSSA-N
Species of MetaboliteComponentSourceComments
Deconicaspecies 471 (ncbitaxon:1562754) - PubMed (25871540)
ChEBI Ontology
Outgoing Relation(s)
Deconin B (CHEBI:210124) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R)-3-hydroxy-3-methyl-5-[4-[(1S)-1,2,2-trimethyl-4-oxocyclopentyl]benzoyl]oxypentanoic acid
Manual XrefsDatabases
59007110ChemSpider