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CHEBI:198770 - Chaetopenoid D

ChEBI IDCHEBI:198770
ChEBI NameChaetopenoid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILESCC[C@@H](/C=C/C=C/C(=O)O[C@H]1C=CC2=C[C@@H](O)[C@H](O)C[C@]2(C)[C@H]1C)CO
InChIInChI=1S/C21H30O5/c1-4-15(13-22)7-5-6-8-20(25)26-19-10-9-16-11-17(23)18(24)12-21(16,3)14(19)2/h5-11,14-15,17-19,22-24H,4,12-13H2,1-3H3/b7-5+,8-6+/t14-,15-,17+,18+,19-,21+/m0/s1
InChIKeyBFGGWRJEFCPXHU-XUQILVECSA-N
Species of MetaboliteComponentSourceComments
Chaetoconis (ncbitaxon:565394) - PubMed (26995148)
ChEBI Ontology
Outgoing Relation(s)
Chaetopenoid D (CHEBI:198770) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(1R,2S,6R,7R,8aR)-6,7-dihydroxy-1,8a-dimethyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl] (2E,4E,6S)-6-(hydroxymethyl)octa-2,4-dienoate
Manual XrefsDatabases
78441974ChemSpider