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CHEBI:5897 - indicine

ChEBI IDCHEBI:5897
ChEBI Nameindicine
Stars
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+/m0/s1
InChIKeySFVVQRJOGUKCEG-XTWPYSKKSA-N
ChEBI Ontology
Outgoing Relation(s)
indicine (CHEBI:5897) is a carboxylic ester (CHEBI:33308)
indicine (CHEBI:5897) is a pyrrolizines (CHEBI:38522)
IUPAC Name 
[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R,3S)-2,3-dihydroxy-2-(propan-2-yl)butanoate
Synonyms  Source
IndicineKEGG COMPOUND
[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R,3S)-2,3-dihydroxy-2-isopropylbutanoateIUPAC
Manual XrefsDatabases
C10326KEGG COMPOUND
C00002091KNApSAcK
Registry NumbersSources
Beilstein:4324630Beilstein
Beilstein:4704139Beilstein
CAS:480-82-0KEGG COMPOUND
CAS:480-82-0ChemIDplus
CAS:480-82-0NIST Chemistry WebBook