CHEBI:168315 - O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol

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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 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol
ChEBI ID CHEBI:168315
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H33NO14
Net Charge 0
Average Mass 511.477
Monoisotopic Mass 511.19010
InChI InChI=1S/C20H33NO14/c1-6-11(25)14(28)16(30)19(32-6)35-18-15(29)12(26)10(4-23)33-20(18)34-17-8(21-7(2)24)5-31-9(3-22)13(17)27/h5-6,9-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)/t6-,9+,10+,11+,12-,13+,14+,15-,16-,17+,18+,19-,20-/m0/s1
InChIKey UGHZPGYGEJKBOY-LMHWPNOYSA-N
SMILES O([C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H]2[C@H](O)[C@H](OC=C2NC(=O)C)CO)CO)[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C
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 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol (CHEBI:168315) is a glycoside (CHEBI:24400)
IUPAC Name
N-[(2R,3S,4R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide
Manual Xrefs Databases
17216175 ChemSpider
HMDB0002235 HMDB
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