CHEBI:168372 - Citrusin E

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 Citrusin E
ChEBI ID CHEBI:168372
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24O9
Net Charge 0
Average Mass 372.370
Monoisotopic Mass 372.14203
InChI InChI=1S/C17H24O9/c1-23-11-7-9(4-6-13(19)24-2)3-5-10(11)25-17-16(22)15(21)14(20)12(8-18)26-17/h3,5,7,12,14-18,20-22H,4,6,8H2,1-2H3
InChIKey GPJDWVYEUMEYKE-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C=C2)CCC(OC)=O)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 Citrusin E (CHEBI:168372) is a glycoside (CHEBI:24400)
IUPAC Name
methyl 3-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate
Manual Xref Database
HMDB0039234 HMDB
View more database links