CHEBI:6053 - Isorhapontin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isorhapontin
ChEBI ID CHEBI:6053
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H24O9
Net Charge 0
Average Mass 420.411
Monoisotopic Mass 420.14203
InChI InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
InChIKey KLPUXMNQDCUPNO-DXKBKAGUSA-N
SMILES COc1cc(\C=C\c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O
ChEBI Ontology
Outgoing Isorhapontin (CHEBI:6053) is a glycoside (CHEBI:24400)
Isorhapontin (CHEBI:6053) is a stilbenoid (CHEBI:26776)
Synonym Source
Isorhapontin KEGG COMPOUND
Manual Xrefs Databases
C00002887 KNApSAcK
C10266 KEGG COMPOUND
View more database links
Registry Number Type Source
32727-29-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014