CHEBI:169466 - Citrusin F

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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 Citrusin F
ChEBI ID CHEBI:169466
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O14
Net Charge 0
Average Mass 520.484
Monoisotopic Mass 520.17921
InChI InChI=1S/C22H32O14/c1-32-14(25)5-3-9-2-4-11(10(24)6-9)34-22-20(31)18(29)16(27)13(36-22)8-33-21-19(30)17(28)15(26)12(7-23)35-21/h2,4,6,12-13,15-24,26-31H,3,5,7-8H2,1H3
InChIKey YLQXQJFWCRRNGA-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(O)C=C(C=C2)CCC(OC)=O)COC3OC(C(O)C(O)C3O)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 F (CHEBI:169466) is a glycoside (CHEBI:24400)
IUPAC Name
methyl 3-[3-hydroxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]propanoate
Manual Xref Database
HMDB0039235 HMDB
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