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CHEBI:2723 - Angustibalin

ChEBI IDCHEBI:2723
ChEBI NameAngustibalin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H20O5
Net Charge0
Average Mass304.342
Monoisotopic Mass304.13107
SMILES[H][C@@]12C[C@@H](C)[C@]3([H])C=CC(=O)[C@@]3(C)[C@@H](OC(C)=O)[C@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15+,17+/m1/s1
InChIKeyDCNRYQODUSSOKC-HKHYKUHTSA-N
ChEBI Ontology
Outgoing Relation(s)
Angustibalin (CHEBI:2723) is a sesquiterpene lactone (CHEBI:37667)
Synonyms  Source
AngustibalinKEGG COMPOUND
Helenalin 6-acetateKEGG COMPOUND
Manual XrefsDatabases
C09293KEGG COMPOUND
C00003211KNApSAcK
Registry NumbersSources
CAS:10180-86-6KEGG COMPOUND