CHEBI:168251 - Myricatin

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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 Myricatin
ChEBI ID CHEBI:168251
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H16O15S
Net Charge 0
Average Mass 552.420
Monoisotopic Mass 552.02099
InChI InChI=1S/C22H16O15S/c23-9-5-10(24)16-14(6-9)35-20(7-1-13(27)18(29)15(4-7)37-38(32,33)34)21(19(16)30)36-22(31)8-2-11(25)17(28)12(26)3-8/h1-6,20-21,23-29H,(H,32,33,34)
InChIKey NIOPKCMFVWJHLB-UHFFFAOYSA-N
SMILES S(OC1=CC(C2OC=3C(C(=O)C2OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C=C(O)C3)=CC(O)=C1O)(O)(=O)=O
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 Myricatin (CHEBI:168251) is a catechin (CHEBI:23053)
IUPAC Name
[2-(3,4-dihydroxy-5-sulooxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl] 3,4,5-trihydroxybenzoate
Manual Xrefs Databases
35013066 ChemSpider
HMDB0029513 HMDB
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