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CHEBI:138862 - Paspalinine

ChEBI IDCHEBI:138862
ChEBI NamePaspalinine
Stars
Last Modified8 July 2022
Submittermwilliams
DownloadsMolfile
FormulaC27H31NO4
Net Charge0
Average Mass433.548
Monoisotopic Mass433.22531
SMILES[H][C@@]12CC[C@@]3(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]3(C)[C@@]1(C)c1nc3ccccc3c1C2)OC5(C)C
InChIInChI=1S/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1
InChIKeyBPTIXFRJAOKMRK-SAMRHTEJSA-N
ChEBI Ontology
Outgoing Relation(s)
Paspalinine (CHEBI:138862) is a organic heterotricyclic compound (CHEBI:26979)
Paspalinine (CHEBI:138862) is a organooxygen compound (CHEBI:36963)
Synonym  Source
C20554KEGG COMPOUND
UniProt Name  Source
paspalinineUniProt
Manual XrefsDatabases
CPD-16962MetaCyc
Citations