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CHEBI:5941 - intermedine

ChEBI IDCHEBI:5941
ChEBI Nameintermedine
Stars
DefinitionA carboxylic ester compound formed from condensation between retronecine and (2S,3R)-2,3-dihydroxy-2-isopropylbutanoic acid.
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H25NO5
Net Charge0
Average Mass299.367
Monoisotopic Mass299.17327
SMILES[H][C@]12C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)=CCN1CC[C@H]2O
InChIInChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15+/m1/s1
InChIKeySFVVQRJOGUKCEG-OPQSFPLASA-N
ChEBI Ontology
Outgoing Relation(s)
intermedine (CHEBI:5941) is a azabicycloalkane (CHEBI:38295)
intermedine (CHEBI:5941) is a carboxylic ester (CHEBI:33308)
intermedine (CHEBI:5941) is a pyrrolizines (CHEBI:38522)
IUPAC Name 
[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolo[1,2-a]pyrrol-7-yl]methyl (2S,3R)-2,3-dihydroxy-2-isopropylbutanoate
INNs  Source
IntermedinaChEBI
IntermedinumChEBI
Synonyms  Source
9-(+)-TrachelanthylretronecineKEGG COMPOUND
beta-MSHChemIDplus
IntermedineKEGG COMPOUND
Manual XrefsDatabases
C00002093KNApSAcK
C10330KEGG COMPOUND
Registry NumbersSources
Beilstein:3594490Beilstein
CAS:10285-06-0KEGG COMPOUND
CAS:10285-06-0ChemIDplus