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CHEBI:31525 - Dubiusine

Default Structure
ChEBI IDCHEBI:31525
ChEBI NameDubiusine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H27NO8
Net Charge0
Average Mass445.468
Monoisotopic Mass445.17367
SMILES[H][C@@]12c3cc(OC(=O)CC(C)O)c(OC)cc3C(=O)O[C@]1([H])[C@@H](OC(C)=O)C=C1CCN(C)[C@]12[H]
InChIInChI=1S/C23H27NO8/c1-11(25)7-19(27)31-17-9-14-15(10-16(17)29-4)23(28)32-22-18(30-12(2)26)8-13-5-6-24(3)21(13)20(14)22/h8-11,18,20-22,25H,5-7H2,1-4H3/t11?,18-,20-,21+,22+/m0/s1
InChIKeyFBWQZJWDTGIERI-MIYFKOFASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Dubiusine (CHEBI:31525) is a alkaloid (CHEBI:22315)
Synonym  Source
DubiusineKEGG COMPOUND
Manual XrefsDatabases
C12240KEGG COMPOUND