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CHEBI:173729 - Petasinine

ChEBI IDCHEBI:173729
ChEBI NamePetasinine
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SubmitterMetaboLights
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FormulaC13H21NO3
Net Charge0
Average Mass239.315
Monoisotopic Mass239.15214
SMILES[H][C@@]12CCCN1C[C@H](OC(=O)/C(C)=C\C)[C@@H]2CO
InChIInChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11+,12+/m1/s1
InChIKeyHQARVRYBUBTANR-JTPMTOLCSA-N
ChEBI Ontology
Outgoing Relation(s)
Petasinine (CHEBI:173729) is a pyrrolizines (CHEBI:38522)
IUPAC Name 
[(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
4944699ChemSpider
Registry NumbersSources
CAS:70474-33-8ChemIDplus