CHEBI:68900 - soldanelline B

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ChEBI Name soldanelline B
ChEBI ID CHEBI:68900
Definition A natural product found in Calystegia soldanella.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C55H92O24
Net Charge 0
Average Mass 1137.30460
Monoisotopic Mass 1136.59785
InChI InChI=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
InChIKey HIABZTFVWGTGEJ-YOGLWGDYSA-N
SMILES [H][C@]1(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)O[C@@H]1[C@H]2O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@H]3OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O[C@]1([H])O[C@H](CO)[C@H]2O
Metabolite of Species Details
Calystegia soldanella (NCBI:txid136204) Found in leaf (BTO:0000713). Methanolic extract of leaves,stems and roots See: PubMed
Calystegia soldanella (NCBI:txid136204) Found in root (BTO:0001188). Methanolic extract of leaves,stems and roots See: PubMed
Calystegia soldanella (NCBI:txid136204) Found in stem (BTO:0001300). Methanolic extract of leaves,stems and roots See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing soldanelline B (CHEBI:68900) has role metabolite (CHEBI:25212)
soldanelline B (CHEBI:68900) is a lipopolysaccharide (CHEBI:16412)
Citation Waiting for Citations Type Source
21992192 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:O-acyl carbohydrate(CHEBI:52782); ISA:organooxygen compound(CHEBI:36963); HFP:tetracarboxylic acid(CHEBI:35742); ISA:macrolide(CHEBI:25106); ISA:glycoside(CHEBI:24400); ISA:fatty acid ester(CHEBI:35748); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:oxanes(CHEBI:46942); ISA:monosaccharide(CHEBI:35381); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactone(CHEBI:25000); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);