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CHEBI:69794 - Lavaudioside B

ChEBI IDCHEBI:69794
ChEBI NameLavaudioside B
Stars
DefinitionA natural product found in Veronica lavaudiana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H40O18
Net Charge0
Average Mass700.643
Monoisotopic Mass700.22146
SMILES[H][C@@]1(O[C@@H]2OC=C(C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@]3([H])C[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C(=C)[C@@]23[H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C31H40O18/c1-12-20(47-22(38)5-3-13-2-4-16(34)17(35)6-13)7-14-15(29(44)45-11-19(37)25(40)24(39)18(36)8-32)10-46-30(23(12)14)49-31-28(43)27(42)26(41)21(9-33)48-31/h2-6,10,14,18-21,23-28,30-37,39-43H,1,7-9,11H2/b5-3+/t14-,18-,19-,20+,21-,23-,24-,25-,26-,27+,28-,30+,31+/m1/s1
InChIKeyALYRUMIBNDNRKD-AWVBIBDPSA-N
Species of MetaboliteComponentSourceComments
Veronica lavaudiana (ncbitaxon:124267) - PubMed (21568305) MeOH extract of plant material
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)
Lavaudioside B (CHEBI:69794) has role metabolite (CHEBI:25212)
Lavaudioside B (CHEBI:69794) is a O-acyl carbohydrate (CHEBI:52782)
Citations