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CHEBI:140148 - rubrolone

ChEBI IDCHEBI:140148
ChEBI Namerubrolone
Stars
Last Modified14 February 2018
Submittermwilliams
DownloadsMolfile
FormulaC23H23NO8
Net Charge0
Average Mass441.436
Monoisotopic Mass441.14237
SMILES[H]N1C(C)=CC2=C3C(=O)C4=C(C(=O)C=C3C(=O)C2=C1CCC)C1(O)C(O4)OC(C)C(O)C1O
InChIInChI=1S/C23H23NO8/c1-4-5-12-15-10(6-8(2)24-12)14-11(18(15)27)7-13(25)16-20(19(14)28)32-22-23(16,30)21(29)17(26)9(3)31-22/h6-7,9,17,21-22,24,26,29-30H,4-5H2,1-3H3
InChIKeyPBLXMLFSQXRIOJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
rubrolone (CHEBI:140148) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
4591126ChemSpider