EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6110 - Kandelin A-1

ChEBI IDCHEBI:6110
ChEBI NameKandelin A-1
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC39H32O15
Net Charge0
Average Mass740.670
Monoisotopic Mass740.17412
SMILESO=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)[C@H]3c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)O1
InChIInChI=1S/C39H32O15/c40-19-4-1-14(7-23(19)44)17-11-30(50)52-29-13-27(48)33-34(35(51)37(54-39(33)31(17)29)16-3-6-21(42)25(46)9-16)32-26(47)12-22(43)18-10-28(49)36(53-38(18)32)15-2-5-20(41)24(45)8-15/h1-9,12-13,17,28,34-37,40-49,51H,10-11H2/t17-,28+,34+,35-,36-,37-/m1/s1
InChIKeyNWZBNZUABGSPSN-ZBBQFUFDSA-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)
Kandelin A-1 (CHEBI:6110) is a proanthocyanidin (CHEBI:26267)
Synonyms  Source
Kandelin A-1KEGG COMPOUND
Cinchonain-1a-(4beta->8)-catechinKEGG COMPOUND
Manual XrefsDatabases
C10233KEGG COMPOUND
C00002929KNApSAcK
Registry NumbersSources
CAS:88903-77-9KEGG COMPOUND