CHEBI:5328 - Geraniin

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ChEBI Name Geraniin
ChEBI ID CHEBI:5328
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C41H28O27
Net Charge 0
Average Mass 952.646
Monoisotopic Mass 952.08180
InChI InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1
InChIKey JQQBXPCJFAKSPG-SVYIMCMUSA-N
SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]3[C@@H]2OC(=O)C2=CC(=O)[C@]4(O)Oc5c(O)c(O)cc(c5[C@H]2C4(O)O)C(=O)O[C@@H]13
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 Geraniin (CHEBI:5328) is a tannin (CHEBI:26848)
Synonym Source
Geraniin KEGG COMPOUND
Manual Xrefs Databases
C00002926 KNApSAcK
C10230 KEGG COMPOUND
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Registry Number Type Source
60976-49-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014