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CHEBI:216469 - Penicitide A

ChEBI IDCHEBI:216469
ChEBI NamePenicitide A
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SubmitterMetaboLights
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FormulaC18H34O4
Net Charge0
Average Mass314.466
Monoisotopic Mass314.24571
SMILESCC(CCCC[C@H]1C[C@H](O)CC(=O)O1)CC(C)CC[C@@H](C)O
InChIInChI=1S/C18H34O4/c1-13(10-14(2)8-9-15(3)19)6-4-5-7-17-11-16(20)12-18(21)22-17/h13-17,19-20H,4-12H2,1-3H3/t13?,14?,15-,16+,17+/m1/s1
InChIKeyATWGXAMVMZHCKK-JWRYVHENSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (21339945)
ChEBI Ontology
Outgoing Relation(s)
Penicitide A (CHEBI:216469) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(4S,6S)-4-hydroxy-6-[(10R)-10-hydroxy-5,7-dimethylundecyl]oxan-2-one
Manual XrefsDatabases
27025565ChemSpider