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CHEBI:9498 - Tetraneurin A

ChEBI IDCHEBI:9498
ChEBI NameTetraneurin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILES[H][C@@]12OC(=O)C(=C)[C@]1([H])CC[C@H](COC(C)=O)[C@]1(O)CCC(=O)[C@@]21C
InChIInChI=1S/C17H22O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h11-12,14,21H,1,4-8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1
InChIKeyDKYQYDPTWYXAFT-BEANVFONSA-N
ChEBI Ontology
Outgoing Relation(s)
Tetraneurin A (CHEBI:9498) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
Tetraneurin AKEGG COMPOUND
Manual XrefsDatabases
C09559KEGG COMPOUND
C00003373KNApSAcK
Registry NumbersSources
CAS:22621-72-3KEGG COMPOUND