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CHEBI:189516 - 5,8-dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-o-(3,4,5-trihydroxybenzoyl)-beta-d-glucopyranoside

ChEBI IDCHEBI:189516
ChEBI Name5,8-dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-o-(3,4,5-trihydroxybenzoyl)-beta-d-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O13
Net Charge0
Average Mass508.432
Monoisotopic Mass508.12169
SMILESO=C(OC[C@H]1O[C@@H](OC2CCC(=O)c3c(O)ccc(O)c32)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C23H24O13/c24-9-1-2-11(26)17-14(4-3-10(25)16(9)17)35-23-21(32)20(31)19(30)15(36-23)7-34-22(33)8-5-12(27)18(29)13(28)6-8/h1-2,5-6,14-15,19-21,23-24,26-32H,3-4,7H2/t14?,15-,19-,20+,21-,23-/m1/s1
InChIKeyLWONLPZQFYNCMG-ATSIEDNJSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
5,8-dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-o-(3,4,5-trihydroxybenzoyl)-beta-d-glucopyranoside (CHEBI:189516) is a gallate ester (CHEBI:37576)
IUPAC Name 
[(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
29814794ChemSpider