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CHEBI:192854 - isorhamnetin 3-O-[β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside]

Default Structure
ChEBI IDCHEBI:192854
ChEBI Nameisorhamnetin 3-O-[β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside]
Stars
ASCII Nameisorhamnetin 3-O-[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside]
Last Modified9 March 2026
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O16
Net Charge0
Average Mass610.521
Monoisotopic Mass610.15338
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)29)24-25(20(34)17-12(30)5-10(28)6-15(17)41-24)43-27-23(37)21(35)19(33)16(42-27)8-40-26-22(36)18(32)13(31)7-39-26/h2-6,13,16,18-19,21-23,26-33,35-37H,7-8H2,1H3/t13-,16-,18+,19-,21+,22-,23-,26+,27+/m1/s1
InChIKeyHIRWMGZVIYIRJM-HXMOASODSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
isorhamnetin 3-O-[β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside] (CHEBI:192854) is a flavonoids (CHEBI:72544)
isorhamnetin 3-O-[β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside] (CHEBI:192854) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
Manual XrefsDatabases
C00005541KNApSAcK
FDB020250FooDB
HMDB0040490HMDB
LMPK12110579LIPID MAPS
Registry NumbersSources
CAS:42905-19-9KNApSAcK