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CHEBI:228094 - Pallidopenilline D

ChEBI IDCHEBI:228094
ChEBI NamePallidopenilline D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O4
Net Charge0
Average Mass308.418
Monoisotopic Mass308.19876
SMILESCC(=O)OCCC(=O)[C@@H]1[C@H]2CCC(C)(C)C[C@@H]2C=C[C@@]1(C)O
InChIInChI=1S/C18H28O4/c1-12(19)22-10-7-15(20)16-14-6-8-17(2,3)11-13(14)5-9-18(16,4)21/h5,9,13-14,16,21H,6-8,10-11H2,1-4H3/t13-,14-,16-,18+/m0/s1
InChIKeyIBPZVSMFNWZOHY-ILXVDBEPSA-N
Species of MetaboliteComponentSourceComments
Penicillium thomii (ncbitaxon:36647) - PubMed (28006908)
ChEBI Ontology
Outgoing Relation(s)
Pallidopenilline D (CHEBI:228094) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
[3-[(1R,2R,4aR,8aS)-2-hydroxy-2,6,6-trimethyl-1,4a,5,7,8,8a-hexahydronaphthalen-1-yl]-3-oxopropyl] acetate
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60596906ChemSpider