CHEBI:3461 - Casuarictin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Casuarictin
ChEBI ID CHEBI:3461
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C41H28O26
Net Charge 0
Average Mass 936.647
Monoisotopic Mass 936.08688
InChI InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41+/m1/s1
InChIKey SWRFKGRMQVLMKA-JIZJWZDPSA-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]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 Casuarictin (CHEBI:3461) is a tannin (CHEBI:26848)
Synonym Source
Casuarictin KEGG COMPOUND
Manual Xrefs Databases
C00002909 KNApSAcK
C10212 KEGG COMPOUND
View more database links
Registry Number Type Source
79786-00-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014