CHEBI:169853 - 6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:169853
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H30O17
Net Charge 0
Average Mass 518.421
Monoisotopic Mass 518.14830
InChI InChI=1S/C18H30O17/c19-1-4-6(22)14(28)18(3-21,34-4)35-17-11(27)9(25)12(5(2-20)31-17)32-16-10(26)7(23)8(24)13(33-16)15(29)30/h4-14,16-17,19-28H,1-3H2,(H,29,30)
InChIKey SDYQLBUNBZKVFG-UHFFFAOYSA-N
SMILES O(C1(OC(C(O)C1O)CO)CO)C2OC(C(OC3OC(C(O)C(O)C3O)C(O)=O)C(O)C2O)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169853) is a oligosaccharide (CHEBI:50699)
IUPAC Name
6-[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0125622 HMDB
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