CHEBI:169145 - 6-[2,6-dihydroxy-3-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-[2,6-dihydroxy-3-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:169145
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H22O9
Net Charge 0
Average Mass 370.354
Monoisotopic Mass 370.12638
InChI InChI=1S/C17H22O9/c1-7(2)3-4-8-5-6-9(18)14(10(8)19)25-17-13(22)11(20)12(21)15(26-17)16(23)24/h3,5-6,11-13,15,17-22H,4H2,1-2H3,(H,23,24)
InChIKey PNQYHJBGSPEPCO-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C(O)=C(CC=C(C)C)C=CC2O)C(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 6-[2,6-dihydroxy-3-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169145) is a glycoside (CHEBI:24400)
IUPAC Name
6-[2,6-dihydroxy-3-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0133256 HMDB
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