CHEBI:3462 - Casuarinin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Casuarinin
ChEBI ID CHEBI:3462
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C41H28O26
Net Charge 0
Average Mass 936.647
Monoisotopic Mass 936.08688
InChI InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32+,34-,35+,36+/m1/s1
InChIKey MMQXBTULXAEKQE-VSLJGAQWSA-N
SMILES O[C@@H]1[C@@H]2OC(=O)c3c1c(O)c(O)c(O)c3-c1c(O)c(O)c(O)cc1C(=O)O[C@H]2[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)cc2C(=O)OC[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
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 Casuarinin (CHEBI:3462) is a tannin (CHEBI:26848)
Synonym Source
Casuarinin KEGG COMPOUND
Manual Xrefs Databases
C00002910 KNApSAcK
C10213 KEGG COMPOUND
View more database links
Registry Number Type Source
79786-01-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014