CHEBI:168017 - 6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:168017
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/c19-1-4-7(22)14(28)18(3-20,34-4)35-17-12(27)8(23)6(21)5(32-17)2-31-16-11(26)9(24)10(25)13(33-16)15(29)30/h4-14,16-17,19-28H,1-3H2,(H,29,30)
InChIKey HVEDYOAUBWOTLI-UHFFFAOYSA-N
SMILES O(C1(OC(C(O)C1O)CO)CO)C2OC(C(O)C(O)C2O)COC3OC(C(O)C(O)C3O)C(O)=O
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}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168017) is a oligosaccharide (CHEBI:50699)
IUPAC Name
6-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
170330 ChemSpider
HMDB0125617 HMDB
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Registry Number Type Source
104880-42-4 CAS Registry Number ChemIDplus