CHEBI:191628 - Kenposide B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kenposide B
ChEBI ID CHEBI:191628
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H36O10
Net Charge 0
Average Mass 448.509
Monoisotopic Mass 448.23085
InChI InChI=1S/C21H36O10/c1-10(2)5-6-12(11(3)4)7-28-21-19(27)17(25)16(24)14(31-21)9-30-20-18(26)15(23)13(22)8-29-20/h5,12-27H,3,6-9H2,1-2,4H3/t12?,13-,14+,15-,16+,17-,18+,19-,20-,21-/m0/s1
InChIKey XOSSHORSTHFGFX-OMHAHRJWSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H]1OCC(CC=C(C)C)C(C)=C)CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing Kenposide B (CHEBI:191628) is a terpene glycoside (CHEBI:61777)
IUPAC Name
(2S,3S,4S,5S,6R)-2-(5-methyl-2-prop-1-en-2-ylhex-4-enoxy)-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Manual Xref Database
167133 ChemSpider
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Registry Number Type Source
152468-89-8 CAS Registry Number ChemIDplus