CHEBI:10070 - Xanthoxylin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Xanthoxylin
ChEBI ID CHEBI:10070
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C10H12O4
C10H12O4
Net Charge 0
Average Mass 196.200
Monoisotopic Mass 196.07356
InChI InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
InChIKey FBUBVLUPUDBFME-UHFFFAOYSA-N
SMILES COc1cc(O)c(C(C)=O)c(OC)c1
ChEBI Ontology
Outgoing Xanthoxylin (CHEBI:10070) has functional parent phloroglucinol (CHEBI:16204)
Xanthoxylin (CHEBI:10070) is a carboxylic ester (CHEBI:33308)
Synonym Source
Xanthoxylin KEGG COMPOUND
Manual Xrefs Databases
C00002710 KNApSAcK
C10726 KEGG COMPOUND
HMDB0029645 HMDB
LSM-2254 LINCS
View more database links
Registry Number Type Source
90-24-4 CAS Registry Number KEGG COMPOUND
Last Modified
24 February 2016