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CHEBI:198408 - Dendryphiellin A

ChEBI IDCHEBI:198408
ChEBI NameDendryphiellin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILESCC(/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C)CCO
InChIInChI=1S/C21H28O5/c1-14(10-11-22)6-4-5-7-20(25)26-19-9-8-16-12-17(23)18(24)13-21(16,3)15(19)2/h4-9,12,14-15,18-19,22,24H,10-11,13H2,1-3H3/b6-4+,7-5+/t14?,15-,18+,19-,21+/m0/s1
InChIKeyLILRKIOWUFSSFE-XKBKYWSISA-N
Species of MetaboliteComponentSourceComments
Paradendryphiella salina (ncbitaxon:179392) - DOI (10.1002/hlca.19880710107)
ChEBI Ontology
Outgoing Relation(s)
Dendryphiellin A (CHEBI:198408) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(1R,2S,7R,8aR)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl] (2E,4E)-8-hydroxy-6-methylocta-2,4-dienoate
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10471413ChemSpider