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CHEBI:216500 - Citrifuran A

ChEBI IDCHEBI:216500
ChEBI NameCitrifuran A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O7
Net Charge0
Average Mass468.546
Monoisotopic Mass468.21480
SMILESCC/C=C/C=C/[C@@]1(C)OC([C@H]2[C@@H]3O[C@H](C)[C@@H](C)c4c(C)c(O)cc(c43)O[C@@H]2C)=C(C(=O)O)C1=O
InChIInChI=1S/C27H32O7/c1-7-8-9-10-11-27(6)25(29)22(26(30)31)24(34-27)20-16(5)32-18-12-17(28)14(3)19-13(2)15(4)33-23(20)21(18)19/h8-13,15-16,20,23,28H,7H2,1-6H3,(H,30,31)/b9-8+,11-10+/t13-,15-,16-,20-,23+,27-/m1/s1
InChIKeyJSAPZAGTHMKMMK-IZHKPZDWSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (28726414)
ChEBI Ontology
Outgoing Relation(s)
Citrifuran A (CHEBI:216500) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(5R)-5-[(1E,3E)-hexa-1,3-dienyl]-2-[(3R,4R,5S,7R,8S)-11-hydroxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-trien-4-yl]-5-methyl-4-oxouran-3-carboxylic acid
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78441750ChemSpider