CHEBI:2822 - Aridanin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Aridanin
ChEBI ID CHEBI:2822
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C38H61NO8
Net Charge 0
Average Mass 659.894
Monoisotopic Mass 659.43972
InChI InChI=1S/C38H61NO8/c1-21(41)39-28-30(43)29(42)24(20-40)46-31(28)47-27-12-13-35(6)25(34(27,4)5)11-14-37(8)26(35)10-9-22-23-19-33(2,3)15-17-38(23,32(44)45)18-16-36(22,37)7/h9,23-31,40,42-43H,10-20H2,1-8H3,(H,39,41)(H,44,45)/t23-,24+,25-,26+,27-,28+,29+,30+,31-,35-,36+,37+,38-/m0/s1
InChIKey VRFWJSCLROXBBW-FUHHSGJXSA-N
SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Aridanin (CHEBI:2822) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
Aridanin KEGG COMPOUND
Manual Xrefs Databases
C00003498 KNApSAcK
C08922 KEGG COMPOUND
View more database links
Registry Number Type Source
81053-26-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014