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CHEBI:191975 - Isorhamnetin 3-O-[b-L-rhamnofuranosyl-(1->6)-D-glucopyranoside]

ChEBI IDCHEBI:191975
ChEBI NameIsorhamnetin 3-O-[b-L-rhamnofuranosyl-(1->6)-D-glucopyranoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O16
Net Charge0
Average Mass624.548
Monoisotopic Mass624.16903
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC3OC(C(C)O)C(O)C3O)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C28H32O16/c1-9(29)24-21(36)23(38)27(43-24)40-8-16-18(33)20(35)22(37)28(42-16)44-26-19(34)17-13(32)6-11(30)7-15(17)41-25(26)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18,20-24,27-33,35-38H,8H2,1-2H3
InChIKeySZYQOTOTXRKGQZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Isorhamnetin 3-O-[b-L-rhamnofuranosyl-(1->6)-D-glucopyranoside] (CHEBI:191975) is a flavonoids (CHEBI:72544)
Isorhamnetin 3-O-[b-L-rhamnofuranosyl-(1->6)-D-glucopyranoside] (CHEBI:191975) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[6-[[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
HMDB0037744HMDB