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CHEBI:68900 - soldanelline B

ChEBI IDCHEBI:68900
ChEBI Namesoldanelline B
Stars
DefinitionA natural product found in Calystegia soldanella.
Last Modified22 September 2014
DownloadsMolfile
FormulaC55H92O24
Net Charge0
Average Mass1137.317
Monoisotopic Mass1136.59785
SMILES[H][C@@]1(O[C@@H]2[C@H]3O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@H]4OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@H]4O[C@]2([H])O[C@H](CO)[C@H]3O)O[C@@H](C)[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@H]1OC(=O)[C@@H](C)[C@@H](C)O
InChIInChI=1S/C55H92O24/c1-10-13-19-22-33-23-20-17-15-14-16-18-21-24-36(59)73-47-43(75-50(66)28(5)12-3)38(61)34(25-56)71-54(47)77-44-39(62)35(26-57)72-55(78-45-40(63)37(60)31(8)68-52(45)70-33)48(44)79-53-46(76-51(67)29(6)30(7)58)41(64)42(32(9)69-53)74-49(65)27(4)11-2/h11,28-35,37-48,52-58,60-64H,10,12-26H2,1-9H3/b27-11-/t28-,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-,41+,42-,43-,44-,45+,46+,47+,48+,52-,53-,54-,55-/m0/s1
InChIKeyHIABZTFVWGTGEJ-YOGLWGDYSA-N
Species of MetaboliteComponentSourceComments
Calystegia soldanella (ncbitaxon:136204)
leaf (BTO:0000713) PubMed (21992192) Methanolic extract of leaves,stems and roots
stem (BTO:0001300) PubMed (21992192) Methanolic extract of leaves,stems and roots
root (BTO:0001188) PubMed (21992192) Methanolic extract of leaves,stems and roots
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)
soldanelline B (CHEBI:68900) has role metabolite (CHEBI:25212)
soldanelline B (CHEBI:68900) is a lipopolysaccharide (CHEBI:16412)
Citations