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CHEBI:4409 - Deoxyelephantopin

ChEBI IDCHEBI:4409
ChEBI NameDeoxyelephantopin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H20O6
Net Charge0
Average Mass344.363
Monoisotopic Mass344.12599
SMILES[H][C@]12C=C(C[C@H](OC(=O)C(=C)C)[C@@]3([H])C(=C)C(=O)O[C@]3([H])/C=C(\C)C1)C(=O)O2
InChIInChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3/b10-6+/t13-,14-,15+,16+/m1/s1
InChIKeyJMUOPRSXUVOHFE-GZZMZBIISA-N
ChEBI Ontology
Outgoing Relation(s)
Deoxyelephantopin (CHEBI:4409) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
DeoxyelephantopinKEGG COMPOUND
Manual XrefsDatabases
C09388KEGG COMPOUND
C00003246KNApSAcK
Registry NumbersSources
CAS:29307-03-7KEGG COMPOUND