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CHEBI:81154 - Mallotinic acid

ChEBI IDCHEBI:81154
ChEBI NameMallotinic acid
Stars
DownloadsMolfile
FormulaC34H26O23
Net Charge0
Average Mass802.559
Monoisotopic Mass802.08649
SMILESO=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(Oc4c(C(=O)O)cc(O)c(O)c4O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C34H26O23/c35-11-1-7(2-12(36)19(11)39)31(50)57-34-27(47)29-23(43)16(55-34)6-53-32(51)8-3-13(37)20(40)24(44)17(8)18-9(33(52)56-29)5-15(22(42)25(18)45)54-28-10(30(48)49)4-14(38)21(41)26(28)46/h1-5,16,23,27,29,34-47H,6H2,(H,48,49)/t16-,23-,27-,29+,34+/m1/s1
InChIKeyAJIFASHLGBHDDS-GEFDNOIESA-N
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
Mallotinic acid (CHEBI:81154) is a tannin (CHEBI:26848)
Manual XrefsDatabases
C17521KEGG COMPOUND
Registry NumbersSources
CAS:66369-82-2KEGG COMPOUND