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CHEBI:5639 - Helianthoside A

ChEBI IDCHEBI:5639
ChEBI NameHelianthoside A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC53H86O21
Net Charge0
Average Mass1059.250
Monoisotopic Mass1058.56616
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C53H86O21/c1-22-32(56)35(59)38(62)44(69-22)74-42-33(57)23(2)70-46(40(42)64)73-41-27(21-68-43-37(61)34(58)26(54)20-67-43)71-45(39(63)36(41)60)72-31-13-14-50(7)28(49(31,5)6)12-15-51(8)29(50)11-10-24-25-18-48(3,4)16-17-53(25,47(65)66)30(55)19-52(24,51)9/h10,22-23,25-46,54-64H,11-21H2,1-9H3,(H,65,66)/t22-,23-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,46-,50-,51+,52+,53+/m0/s1
InChIKeyGAMQIEGJRMEAEJ-NIJXBJTFSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Helianthoside A (CHEBI:5639) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Helianthoside AKEGG COMPOUND
Manual XrefsDatabases
C08956KEGG COMPOUND
C00003530KNApSAcK
Registry NumbersSources
CAS:139164-70-8KEGG COMPOUND