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CHEBI:3321 - Callicarpone

ChEBI IDCHEBI:3321
ChEBI NameCallicarpone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILES[H][C@@]12CC(=O)C3=C(C(=O)[C@@]4([H])O[C@@]4(C(C)(C)O)C3)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H28O4/c1-17(2)7-6-8-19(5)13(17)9-12(21)11-10-20(18(3,4)23)16(24-20)15(22)14(11)19/h13,16,23H,6-10H2,1-5H3/t13-,16+,19-,20-/m0/s1
InChIKeyUSEISAATSWUIGG-MVHCQYFOSA-N
ChEBI Ontology
Outgoing Relation(s)
Callicarpone (CHEBI:3321) is a diterpenoid (CHEBI:23849)
Synonym  Source
CallicarponeKEGG COMPOUND
Manual XrefsDatabases
C09067KEGG COMPOUND
C00003408KNApSAcK
Registry NumbersSources
CAS:5938-11-4KEGG COMPOUND