CHEBI:140148 - rubrolone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rubrolone
ChEBI ID CHEBI:140148
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H23NO8
Net Charge 0
Average Mass 441.432
Monoisotopic Mass 441.14237
InChI InChI=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
InChIKey PBLXMLFSQXRIOJ-UHFFFAOYSA-N
SMILES O1C2OC3=C(C2(O)C(O)C(O)C1C)C(=O)C=C4C(C3=O)=C5C(C4=O)=C(N(C(=C5)C)[H])CCC
ChEBI Ontology
Outgoing rubrolone (CHEBI:140148) is a furopyran (CHEBI:74927)
Manual Xref Database
4591126 ChemSpider
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Last Modified
14 February 2018