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CHEBI:228083 - Pallidopenilline A

ChEBI IDCHEBI:228083
ChEBI NamePallidopenilline A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O5
Net Charge0
Average Mass270.325
Monoisotopic Mass270.14672
SMILESC[C@@]1(O)C=C[C@H]2[C@H](O)[C@@H](O)CC[C@@H]2[C@H]1C(=O)CCO
InChIInChI=1S/C14H22O5/c1-14(19)6-4-9-8(2-3-11(17)13(9)18)12(14)10(16)5-7-15/h4,6,8-9,11-13,15,17-19H,2-3,5,7H2,1H3/t8-,9+,11-,12-,13-,14+/m0/s1
InChIKeySFBSMJQOZWNKFR-NNHPCIIKSA-N
Species of MetaboliteComponentSourceComments
Penicillium thomii (ncbitaxon:36647) - PubMed (28006908)
ChEBI Ontology
Outgoing Relation(s)
Pallidopenilline A (CHEBI:228083) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1R,2R,4aR,5S,6S,8aS)-2,5,6-trihydroxy-2-methyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
60596900ChemSpider