CHEBI:70319 - ipomotaoside B

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ChEBI Name ipomotaoside B
ChEBI ID CHEBI:70319
Definition A resin glycoside that is the tetrasaccharide derivative of jalapinolic acid. It has been isolated from Ipomoea batatas.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C73H120O21
Net Charge 0
Average Mass 1333.72130
Monoisotopic Mass 1332.83221
InChI InChI=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
InChIKey FSDJTONUQZBFFY-QSAXEEFWSA-N
SMILES CCCCCCCCCCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]5O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]4[C@@H]3O)[C@H](OC(=O)CCCCCCCCCCC)[C@@H]2O)[C@H](OC(=O)\C=C\c2ccccc2)[C@@H]1O
Metabolite of Species Details
Ipomoea batatas (NCBI:txid4120) Found in aerial part (BTO:0001658). EtOAc extract of dreid aerial parts 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 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'' ester ChEBI
Registry Number Type Source
21071419 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20961090 PubMed citation Europe PMC
Last Modified
26 August 2015