CHEBI:168617 - DIMBOA-Glc

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 DIMBOA-Glc
ChEBI ID CHEBI:168617
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H19NO10
Net Charge 0
Average Mass 373.314
Monoisotopic Mass 373.10090
InChI InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3
InChIKey WTGXAWKVZMQEDA-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2OC3=C(N(O)C2=O)C=CC(OC)=C3)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 DIMBOA-Glc (CHEBI:168617) is a glycoside (CHEBI:24400)
IUPAC Name
4-hydroxy-7-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
Manual Xrefs Databases
3678276 ChemSpider
HMDB0029710 HMDB
View more database links