ChEBI

CHEBI:168803 - 6-(4-{2,3-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-5-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI Name 6-(4-{2,3-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-5-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid ChEBI ID CHEBI:168803 Stars This entity has been manually annotated by a third party. Submitter MetaboLights Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H38O12 Net Charge 0 Average Mass 602.633 Monoisotopic Mass 602.23633 InChI InChI=1S/C31H38O12/c1-14(2)5-7-16-11-18(9-10-20(16)32)23(34)25(36)24(35)19-12-17(8-6-15(3)4)22(13-21(19)33)42-31-28(39)26(37)27(38)29(43-31)30(40)41/h5-6,9-13,23,25-29,31-34,36-39H,7-8H2,1-4H3,(H,40,41) InChIKey NOFHWUNNRGWGNU-UHFFFAOYSA-N SMILES O1C(OC=2C(=CC(=C(O)C2)C(=O)C(O)C(O)C3=CC(CC=C(C)C)=C(O)C=C3)CC=C(C)C)C(O)C(O)C(O)C1C(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-(4-{2,3-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-5-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168803) is a flavonoids (CHEBI:72544) 6-(4-{2,3-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-5-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168803) is a glycoside (CHEBI:24400) IUPAC Name 6-[4-[2,3-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoyl]-5-hydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Manual Xref Database HMDB0133228 HMDB View more database links