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CHEBI:2829 - Arnicolide A

ChEBI IDCHEBI:2829
ChEBI NameArnicolide A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILES[H][C@@]12[C@H](C)C(=O)O[C@]1([H])C[C@@H](C)[C@]1([H])C=CC(=O)[C@@]1(C)[C@H]2OC(C)=O
InChIInChI=1S/C17H22O5/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/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9+,11+,12-,14-,15+,17+/m1/s1
InChIKeyNEIIKBWBBCJSQU-HESYKRBGSA-N
ChEBI Ontology
Outgoing Relation(s)
Arnicolide A (CHEBI:2829) is a sesquiterpene lactone (CHEBI:37667)
Synonyms  Source
Arnicolide AKEGG COMPOUND
Dihydrohelenalin acatateKEGG COMPOUND
Manual XrefsDatabases
C09299KEGG COMPOUND
C00003217KNApSAcK
Registry NumbersSources
CAS:36505-53-0KEGG COMPOUND