CHEBI:183877 - [(2r,3s,4s,5r,6s)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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ChEBI Name [(2r,3s,4s,5r,6s)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
ChEBI ID CHEBI:183877
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H28O14
Net Charge 0
Average Mass 588.518
Monoisotopic Mass 588.14791
InChI InChI=1S/C28H28O14/c29-14-4-1-12(2-5-14)3-6-16(30)22-17(31)9-15(10-18(22)32)41-28-26(38)25(37)24(36)21(42-28)11-40-27(39)13-7-19(33)23(35)20(34)8-13/h1-2,4-5,7-10,21,24-26,28-29,31-38H,3,6,11H2/t21-,24-,25+,26-,28-/m1/s1
InChIKey YPFUHFNAEWURDN-ZKPBLSLZSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(O)=C(C(O)=C2)C(=O)CCC3=CC=C(O)C=C3)COC(=O)C4=CC(O)=C(O)C(O)=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing [(2r,3s,4s,5r,6s)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate (CHEBI:183877) is a flavonoids (CHEBI:72544)
[(2r,3s,4s,5r,6s)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate (CHEBI:183877) is a glycoside (CHEBI:24400)
IUPAC Name
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual Xref Database
22913853 ChemSpider
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