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CHEBI:168233 - Rhamnazin 3-rutinoside

ChEBI IDCHEBI:168233
ChEBI NameRhamnazin 3-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O16
Net Charge0
Average Mass638.575
Monoisotopic Mass638.18469
SMILESCOc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1
InChIInChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-13(30)15(6-11)40-3/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1
InChIKeyJUIYKRQGQJORHH-BDAFLREQSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Rhamnazin 3-rutinoside (CHEBI:168233) is a flavonoids (CHEBI:72544)
Rhamnazin 3-rutinoside (CHEBI:168233) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-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
4576680ChemSpider
Registry NumbersSources
CAS:20188-85-6ChemIDplus