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CHEBI:3439 - Carthamone

ChEBI IDCHEBI:3439
ChEBI NameCarthamone
Stars
Last Modified3 June 2016
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=C1C=C(O)C(=O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1C(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C21H20O11/c22-8-14-17(28)18(29)19(30)21(31-14)32-20-15(12(25)7-13(26)16(20)27)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,14,17-19,21-23,26,28-30H,8H2/b6-3+/t14-,17-,18+,19-,21+/m1/s1
InChIKeySBAFZBVZGFUKPK-MVAXXSNXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Carthamone (CHEBI:3439) is a hydroxycinnamic acid (CHEBI:24689)
Carthamone (CHEBI:3439) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)
Synonym  Source
CarthamoneKEGG COMPOUND
Manual XrefsDatabases
C08598KEGG COMPOUND
C00002372KNApSAcK
Registry NumbersSources
CAS:86579-00-2KEGG COMPOUND