CHEBI:2606 - Alnusiin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Alnusiin
ChEBI ID CHEBI:2606
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C41H26O26
Net Charge 0
Average Mass 934.631
Monoisotopic Mass 934.07123
InChI InChI=1S/C41H26O26/c42-12-1-7-18(26(51)22(12)47)19-8(2-13(43)23(48)27(19)52)39(58)67-35-34(66-38(7)57)32-17(62-41(35)60)6-61-36(55)11-5-14(44)24(49)29(54)30(11)63-31-16(46)4-9-20(28(31)53)21-10(40(59)64-32)3-15(45)25(50)33(21)65-37(9)56/h1-5,17,32,34-35,41-54,60H,6H2/t17-,32-,34+,35-,41?/m1/s1
InChIKey OAZHOQDMOPZBMN-RBKPYHMISA-N
SMILES OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3Oc3c(O)cc4c(c3O)c3c(cc(O)c(O)c3oc4=O)C(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Alnusiin (CHEBI:2606) is a tannin (CHEBI:26848)
Synonym Source
Alnusiin KEGG COMPOUND
Manual Xrefs Databases
C00002908 KNApSAcK
C10211 KEGG COMPOUND
View more database links
Registry Number Type Source
78836-99-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014