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CHEBI:191934 - penicitrinol B

ChEBI IDCHEBI:191934
ChEBI Namepenicitrinol B
Stars
DefinitionA furopyranoxanthene with formula C24H28O6. It is a natural product isolated from the fungus Penicillium citrinum B-57.
Last Modified17 May 2022
SubmitterAdnan
DownloadsMolfile
FormulaC24H28O6
Net Charge0
Average Mass412.482
Monoisotopic Mass412.18859
SMILES[H][C@@]12O[C@H](C)[C@@H](C)c3c(C)c(O)cc(c31)OC1=C2C(=O)C(C)=C2[C@H](C)[C@@H](C)O[C@@]12OC
InChIInChI=1S/C24H28O6/c1-9-13(5)28-22-18-16(8-15(25)11(3)17(9)18)29-23-19(22)21(26)12(4)20-10(2)14(6)30-24(20,23)27-7/h8-10,13-14,22,25H,1-7H3/t9-,10-,13-,14-,22-,24-/m1/s1
InChIKeyYWUROUQKOJZPEJ-ZPLCETTNSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (18281952) Strain: B-57
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
penicitrinol B (CHEBI:191934) has role fungal metabolite (CHEBI:76946)
penicitrinol B (CHEBI:191934) has role radical scavenger (CHEBI:48578)
penicitrinol B (CHEBI:191934) is a ether (CHEBI:25698)
penicitrinol B (CHEBI:191934) is a furopyranoxanthene (CHEBI:191935)
penicitrinol B (CHEBI:191934) is a phenols (CHEBI:33853)
IUPAC Name 
(2R,3S,5bR,7R,8S,12bR)-10-hydroxy-12b-methoxy-2,3,4,7,8,9-hexamethyl-2,3,5b,7,8,12b-hexahydro-5H-furo[3,2-c]pyrano[4,3,2-kl]xanthen-5-one
Synonym  Source
(1R,6S,7R,9R,17S,18R)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.02,10.05,9.016,20]icosa-2(10),4,12(20),13,15-pentaen-3-oneIUPAC
Manual XrefsDatabases
23340846ChemSpider
Citations