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CHEBI:80810 - Carthamin

ChEBI IDCHEBI:80810
ChEBI NameCarthamin
Stars
DownloadsMolfile
FormulaC43H42O22
Net Charge0
Average Mass910.787
Monoisotopic Mass910.21677
SMILES[H][C@@]1([C@]2(O)C(O)=C(/C=C3/C(=O)C(C(=O)/C=C/c4ccc(O)cc4)=C(O)[C@@](O)([C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=O)C(=O)C(C(=O)/C=C/c3ccc(O)cc3)=C2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13-/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42+,43-/m1/s1
InChIKeyWLYGSPLCNKYESI-RSUQVHIMSA-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)
Carthamin (CHEBI:80810) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
C16941KEGG COMPOUND
Registry NumbersSources
CAS:36338-96-2KEGG COMPOUND