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CHEBI:179100 - Neotussilagine

ChEBI IDCHEBI:179100
ChEBI NameNeotussilagine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17NO3
Net Charge0
Average Mass199.250
Monoisotopic Mass199.12084
SMILESCOC(=O)C1C2CCCN2CC1(C)O
InChIInChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3
InChIKeyLADVYSUMGRTFSZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Neotussilagine (CHEBI:179100) is a pyrrolizines (CHEBI:38522)
IUPAC Name 
methyl 2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
Manual XrefsDatabases
HMDB0031820HMDB
3682055ChemSpider