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CHEBI:70319 - ipomotaoside B

ChEBI IDCHEBI:70319
ChEBI Nameipomotaoside B
Stars
DefinitionA resin glycoside that is the tetrasaccharide derivative of jalapinolic acid. It has been isolated from Ipomoea batatas.
Last Modified26 August 2015
DownloadsMolfile
FormulaC73H120O21
Net Charge0
Average Mass1333.742
Monoisotopic Mass1332.83221
SMILES[H][C@@]1(O[C@@H]2[C@@H](O)[C@H]3OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@@]4([H])O[C@@H]3O[C@H]2C)O[C@@H](C)[C@H](O[C@]2([H])O[C@@H](C)[C@H](OC(=O)CCCCCCCCCCC)[C@@H](O)[C@H]2OC(=O)/C=C/c2ccccc2)[C@@H](O)[C@H]1OC(=O)CCCCCCCCCCC
InChIInChI=1S/C73H120O21/c1-8-11-14-16-18-20-24-28-36-43-54(74)88-63-49(5)84-71(67(60(63)80)91-57(77)47-46-52-39-33-31-34-40-52)92-64-50(6)85-72(68(61(64)81)89-55(75)44-37-29-25-21-19-17-15-12-9-2)93-65-51(7)86-73-69(62(65)82)90-56(76)45-38-30-26-22-23-27-35-42-53(41-32-13-10-3)87-70-66(94-73)59(79)58(78)48(4)83-70/h31,33-34,39-40,46-51,53,58-73,78-82H,8-30,32,35-38,41-45H2,1-7H3/b47-46+/t48-,49+,50+,51+,53+,58+,59+,60-,61-,62-,63+,64+,65+,66-,67-,68-,69-,70+,71+,72+,73+/m1/s1
InChIKeyFSDJTONUQZBFFY-QSAXEEFWSA-N
Species of MetaboliteComponentSourceComments
Ipomoea batatas (ncbitaxon:4120) aerial part (BTO:0001658) PubMed (20961090) EtOAc extract of dreid aerial parts
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)
ipomotaoside B (CHEBI:70319) has functional parent trans-cinnamic acid (CHEBI:35697)
ipomotaoside B (CHEBI:70319) has functional parent jalapinolic acid (CHEBI:75785)
ipomotaoside B (CHEBI:70319) has role metabolite (CHEBI:25212)
ipomotaoside B (CHEBI:70319) is a cinnamate ester (CHEBI:36087)
ipomotaoside B (CHEBI:70319) is a dodecanoate ester (CHEBI:87659)
ipomotaoside B (CHEBI:70319) is a macrocyclic lactone (CHEBI:63944)
ipomotaoside B (CHEBI:70319) is a resin glycoside (CHEBI:75756)
ipomotaoside B (CHEBI:70319) is a tetrasaccharide derivative (CHEBI:63567)
Synonym  Source
(S)-jalapinolic acid 11-O-(2-O-trans-cinnamoyl)-[(4-O-n-dodecanoyl)]-α-L-rhamnopyranosyl-(1→4)-O-(2-O-n-dodecanoyl)-α-L-rhamnopyranosyl-(1→4)-O-α-L-rhamnopyranosyl-(1→2)-O-β-D-fucopyranoside 1,2'' esterChEBI
Registry NumbersSources
Reaxys:21071419Reaxys
Citations