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CHEBI:216518 - Citrifuran D

ChEBI IDCHEBI:216518
ChEBI NameCitrifuran D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O9
Net Charge0
Average Mass512.555
Monoisotopic Mass512.20463
SMILESCC/C=C/C=C/[C@@]1(C)OC(C[C@@H]2C[C@@H]3O[C@H](C)[C@@H](C)c4c(C)c(O)c(C(=O)O)c(c43)O2)=C(C(=O)O)C1=O
InChIInChI=1S/C28H32O9/c1-6-7-8-9-10-28(5)25(30)21(26(31)32)18(37-28)12-16-11-17-20-19(13(2)15(4)35-17)14(3)23(29)22(27(33)34)24(20)36-16/h7-10,13,15-17,29H,6,11-12H2,1-5H3,(H,31,32)(H,33,34)/b8-7+,10-9+/t13-,15-,16+,17+,28-/m1/s1
InChIKeyFSZTXWQONBPXBO-MHXFVIJRSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (28726414)
ChEBI Ontology
Outgoing Relation(s)
Citrifuran D (CHEBI:216518) is a benzenes (CHEBI:22712)
Citrifuran D (CHEBI:216518) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3S,5S,7R,8S)-3-[[(5R)-3-carboxy-5-[(1E,3E)-hexa-1,3-dienyl]-5-methyl-4-oxouran-2-yl]methyl]-11-hydroxy-7,8,10-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene-12-carboxylic acid
Manual XrefsDatabases
78441753ChemSpider