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CHEBI:169439 - Azaleatin 3-rutinoside

ChEBI IDCHEBI:169439
ChEBI NameAzaleatin 3-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O16
Net Charge0
Average Mass624.548
Monoisotopic Mass624.16903
SMILESCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(=O)c12
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)17-14(39-2)6-11(29)7-15(17)42-25(26)10-3-4-12(30)13(31)5-10/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
InChIKeyZQGOPIYRGSTAIY-LQBNSVKOSA-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)
Azaleatin 3-rutinoside (CHEBI:169439) is a flavonoids (CHEBI:72544)
Azaleatin 3-rutinoside (CHEBI:169439) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845218ChemSpider
LMPK12112543LIPID MAPS