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CHEBI:176377 - Isorhamnetin rutinoside

ChEBI IDCHEBI:176377
ChEBI NameIsorhamnetin rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O16
Net Charge0
Average Mass624.548
Monoisotopic Mass624.16903
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16?,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1
InChIKeyUIDGLYUNOUKLBM-BPTRYNHESA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) leaf (BTO:0000713) MetaboLights (MTBLS2566)
ChEBI Ontology
Outgoing Relation(s)
Isorhamnetin rutinoside (CHEBI:176377) is a flavonoids (CHEBI:72544)
Isorhamnetin rutinoside (CHEBI:176377) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
58800952ChemSpider