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CHEBI:216512 - Citrifuran C

ChEBI IDCHEBI:216512
ChEBI NameCitrifuran C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O8
Net Charge0
Average Mass484.545
Monoisotopic Mass484.20972
SMILESCC/C=C/C=C/[C@@]1(C)OC([C@H]2[C@@H]3O[C@H](C)[C@@H](C)C4=C3C(=CC(=O)[C@]4(C)O)O[C@@H]2C)=C(C(=O)O)C1=O
InChIInChI=1S/C27H32O8/c1-7-8-9-10-11-26(5)24(29)20(25(30)31)23(35-26)18-15(4)33-16-12-17(28)27(6,32)21-13(2)14(3)34-22(18)19(16)21/h8-15,18,22,32H,7H2,1-6H3,(H,30,31)/b9-8+,11-10+/t13-,14-,15-,18-,22+,26-,27+/m1/s1
InChIKeyUGTPPMCFRXTUNF-NCFDYJRCSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (28726414)
ChEBI Ontology
Outgoing Relation(s)
Citrifuran C (CHEBI:216512) is a pyrans (CHEBI:26407)
IUPAC Name 
(5R)-5-[(1E,3E)-hexa-1,3-dienyl]-2-[(3R,4R,5S,7R,8S,10R)-10-hydroxy-3,7,8,10-tetramethyl-11-oxo-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13)-dien-4-yl]-5-methyl-4-oxouran-3-carboxylic acid
Manual XrefsDatabases
78441752ChemSpider