CHEBI:168001 - Estragonoside

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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 Estragonoside
ChEBI ID CHEBI:168001
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22O12
Net Charge 0
Average Mass 478.406
Monoisotopic Mass 478.11113
InChI InChI=1S/C22H22O12/c1-7-14(25)16(27)19(30)22(32-7)34-21-18(29)17(28)15(26)13-10(24)6-11(33-20(13)21)8-3-4-9(23)12(5-8)31-2/h3-7,14,16,19,22-23,25-30H,1-2H3
InChIKey HOQOGRHHARLRBG-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C3OC(=CC(=O)C3=C(O)C(O)=C2O)C4=CC(OC)=C(O)C=C4)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 Estragonoside (CHEBI:168001) is a flavonoids (CHEBI:72544)
Estragonoside (CHEBI:168001) is a glycoside (CHEBI:24400)
IUPAC Name
5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Manual Xref Database
HMDB0033650 HMDB
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