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CHEBI:221730 - Deconin D

ChEBI IDCHEBI:221730
ChEBI NameDeconin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILESCC1(C)CC[C@@H](O)[C@]1(C)c1ccc(C(=O)OCC[C@@](C)(O)CC(=O)O)cc1
InChIInChI=1S/C21H30O6/c1-19(2)10-9-16(22)21(19,4)15-7-5-14(6-8-15)18(25)27-12-11-20(3,26)13-17(23)24/h5-8,16,22,26H,9-13H2,1-4H3,(H,23,24)/t16-,20-,21+/m1/s1
InChIKeyUYLYUHNDNNVOPJ-HBGVWJBISA-N
Species of MetaboliteComponentSourceComments
Deconicaspecies 471 (ncbitaxon:1562754) - PubMed (25871540)
ChEBI Ontology
Outgoing Relation(s)
Deconin D (CHEBI:221730) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R)-3-hydroxy-5-[4-[(1S,5R)-5-hydroxy-1,2,2-trimethylcyclopentyl]benzoyl]oxy-3-methylpentanoic acid
Manual XrefsDatabases
58858912ChemSpider