CHEBI:229079 - Cistanoside G

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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 Cistanoside G
ChEBI ID CHEBI:229079
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O11
Net Charge 0
Average Mass 446.449
Monoisotopic Mass 446.17881
InChI InChI=1S/C20H30O11/c1-9-13(23)18(31-20-16(26)15(25)14(24)12(8-21)30-20)17(27)19(29-9)28-7-6-10-2-4-11(22)5-3-10/h2-5,9,12-27H,6-8H2,1H3/t9-,12+,13+,14+,15-,16+,17+,18+,19+,20-/m0/s1
InChIKey PUNXDBIVFUQAAC-FYQUPJIJSA-N
SMILES O([C@@H]1[C@H](O)[C@@H](O[C@@H](OCCC2=CC=C(O)C=C2)[C@@H]1O)C)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing Cistanoside G (CHEBI:229079) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-3,5-dihydroxy-2-[2-(4-hydroxyphenyl)ethoxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol