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CHEBI:10070 - Xanthoxylin

ChEBI IDCHEBI:10070
ChEBI NameXanthoxylin
Stars
Last Modified24 February 2016
DownloadsMolfile
FormulaC10H12O4
Net Charge0
Average Mass196.202
Monoisotopic Mass196.07356
SMILESCOc1cc(O)c(C(C)=O)c(OC)c1
InChIInChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
InChIKeyFBUBVLUPUDBFME-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Xanthoxylin (CHEBI:10070) has functional parent phloroglucinol (CHEBI:16204)
Xanthoxylin (CHEBI:10070) is a carboxylic ester (CHEBI:33308)
Synonym  Source
XanthoxylinKEGG COMPOUND
Manual XrefsDatabases
C10726KEGG COMPOUND
C00002710KNApSAcK
LSM-2254LINCS
HMDB0029645HMDB
Registry NumbersSources
CAS:90-24-4KEGG COMPOUND