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CHEBI:7948 - Pedunculagin

ChEBI IDCHEBI:7948
ChEBI NamePedunculagin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC34H24O22
Net Charge0
Average Mass784.544
Monoisotopic Mass784.07592
SMILESO=C1OC[C@H]2OC(O)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O
InChIInChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1
InChIKeyIYMHVUYNBVWXKH-ZITZVVOASA-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)
Pedunculagin (CHEBI:7948) is a tannin (CHEBI:26848)
Synonym  Source
PedunculaginKEGG COMPOUND
Manual XrefsDatabases
C10236KEGG COMPOUND
C00002932KNApSAcK
Registry NumbersSources
CAS:7045-42-3KEGG COMPOUND