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CHEBI:228092 - Pallidopenilline C

ChEBI IDCHEBI:228092
ChEBI NamePallidopenilline C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC[C@@]1(O)C=C[C@H]2C[C@@H](C(=O)O)CC[C@@H]2[C@H]1C(=O)CCO
InChIInChI=1S/C15H22O5/c1-15(20)6-4-9-8-10(14(18)19)2-3-11(9)13(15)12(17)5-7-16/h4,6,9-11,13,16,20H,2-3,5,7-8H2,1H3,(H,18,19)/t9-,10-,11-,13-,15+/m0/s1
InChIKeyLANNQBKRPTYEAU-MAWRTODSSA-N
Species of MetaboliteComponentSourceComments
Penicillium thomii (ncbitaxon:36647) - PubMed (28006908)
ChEBI Ontology
Outgoing Relation(s)
Pallidopenilline C (CHEBI:228092) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
(2S,4aS,5R,6R,8aR)-6-hydroxy-5-(3-hydroxypropanoyl)-6-methyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene-2-carboxylic acid
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60596905ChemSpider