CHEBI:7948 - Pedunculagin

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ChEBI Name Pedunculagin
ChEBI ID CHEBI:7948
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H24O22
Net Charge 0
Average Mass 784.543
Monoisotopic Mass 784.076
InChI InChI=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
InChIKey IYMHVUYNBVWXKH-ZITZVVOASA-N
SMILES OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing Pedunculagin (CHEBI:7948) is a tannin (CHEBI:26848)
Synonym Source
Pedunculagin KEGG COMPOUND
Manual Xrefs Databases
C00002932 KNApSAcK
C10236 KEGG COMPOUND
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Registry Number Type Source
7045-42-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014