EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:190808 - 6-{3,5-dihydroxy-2-[3-(3-hydroxyphenyl)propanoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:190808
ChEBI Name6-{3,5-dihydroxy-2-[3-(3-hydroxyphenyl)propanoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O16
Net Charge0
Average Mass612.537
Monoisotopic Mass612.16903
SMILESO=C(CCc1cccc(O)c1)c1c(O)cc(O)c(C2OC(CO)C(O)C(O)C2O)c1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C27H32O16/c28-8-14-17(33)18(34)20(36)24(41-14)16-13(32)7-12(31)15(11(30)5-4-9-2-1-3-10(29)6-9)23(16)42-27-22(38)19(35)21(37)25(43-27)26(39)40/h1-3,6-7,14,17-22,24-25,27-29,31-38H,4-5,8H2,(H,39,40)
InChIKeyFSDHPPNQUNUMCQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
6-{3,5-dihydroxy-2-[3-(3-hydroxyphenyl)propanoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190808) is a flavonoids (CHEBI:72544)
6-{3,5-dihydroxy-2-[3-(3-hydroxyphenyl)propanoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190808) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3,5-dihydroxy-2-[3-(3-hydroxyphenyl)propanoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132682HMDB