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CHEBI:6091 - Jodrellin A

ChEBI IDCHEBI:6091
ChEBI NameJodrellin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H32O8
Net Charge0
Average Mass448.512
Monoisotopic Mass448.20972
SMILES[H][C@@]12OC=C[C@]1([H])C[C@@]([H])([C@@]1(C)[C@H](C)C[C@H](OC(C)=O)C34[C@@H](OC(C)=O)O[C@@H](C[C@]35CO5)C[C@@]41[H])O2
InChIInChI=1S/C24H32O8/c1-12-7-19(29-13(2)25)24-17(22(12,4)18-8-15-5-6-27-20(15)32-18)9-16(10-23(24)11-28-23)31-21(24)30-14(3)26/h5-6,12,15-21H,7-11H2,1-4H3/t12-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24?/m1/s1
InChIKeyCEUOLEQPGHORRY-HKIGURNISA-N
ChEBI Ontology
Outgoing Relation(s)
Jodrellin A (CHEBI:6091) is a furofuran (CHEBI:47790)
Synonym  Source
Jodrellin AKEGG COMPOUND
Manual XrefsDatabases
C09121KEGG COMPOUND
C00003447KNApSAcK
Registry NumbersSources
CAS:124901-80-0KEGG COMPOUND