CHEBI:2856 - Arvensoside A

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ChEBI Name Arvensoside A
ChEBI ID CHEBI:2856
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C48H78O18
Net Charge 0
Average Mass 943.124
Monoisotopic Mass 942.51882
InChI InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-40-36(58)34(56)31(53)25(20-50)62-40)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-37(59)38(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-59H,9-21H2,1-7H3/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,45-,46+,47+,48-/m0/s1
InChIKey MHCDFIFLMYBWIV-PLLMSDPHSA-N
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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 Arvensoside A (CHEBI:2856) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
Arvensoside A KEGG COMPOUND
Manual Xrefs Databases
C00003499 KNApSAcK
C08923 KEGG COMPOUND
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Registry Number Type Source
110219-89-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014