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CHEBI:8343 - Portulal

ChEBI IDCHEBI:8343
ChEBI NamePortulal
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILES[H][C@]12CCC=C(C)C[C@@]1(C=O)C[C@@H](C)[C@]2(CO)CC/C(=C/CO)CO
InChIInChI=1S/C20H32O4/c1-15-4-3-5-18-19(10-15,13-23)11-16(2)20(18,14-24)8-6-17(12-22)7-9-21/h4,7,13,16,18,21-22,24H,3,5-6,8-12,14H2,1-2H3/b17-7-/t16-,18+,19+,20-/m1/s1
InChIKeyXNVGNPVDYXWYIA-OHWVBOLFSA-N
ChEBI Ontology
Outgoing Relation(s)
Portulal (CHEBI:8343) is a iridoid monoterpenoid (CHEBI:50563)
Synonym  Source
PortulalKEGG COMPOUND
Manual XrefsDatabases
C09175KEGG COMPOUND
C00003475KNApSAcK
Registry NumbersSources
CAS:22571-65-9KEGG COMPOUND