CHEBI:183013 - (2E)-3,7-Dimethyl-2,6-octadien-1-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside

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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 (2E)-3,7-Dimethyl-2,6-octadien-1-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
ChEBI ID CHEBI:183013
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/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3/b13-7+/t14-,15-,16+,17-,18+,19-,20-,21-/m1/s1
InChIKey RFFYIBOJHUSIGD-PHDUQKSESA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC/C=C(/CCC=C(C)C)\C)CO[C@@H]2OC[C@@](O)([C@H]2O)CO
Metabolite of Species Details
Cucumis melo (NCBI:txid3656) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing (2E)-3,7-Dimethyl-2,6-octadien-1-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside (CHEBI:183013) is a terpene glycoside (CHEBI:61777)
IUPAC Name
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
Manual Xref Database
10260573 ChemSpider
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