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CHEBI:168402 - Tricin 7-rutinoside

ChEBI IDCHEBI:168402
ChEBI NameTricin 7-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O16
Net Charge0
Average Mass638.575
Monoisotopic Mass638.18469
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)[C@@H](O)[C@H](O)C4O)cc3o2)cc(OC)c1O
InChIInChI=1S/C29H34O16/c1-10-21(32)24(35)26(37)28(42-10)41-9-19-23(34)25(36)27(38)29(45-19)43-12-6-13(30)20-14(31)8-15(44-16(20)7-12)11-4-17(39-2)22(33)18(5-11)40-3/h4-8,10,19,21,23-30,32-38H,9H2,1-3H3/t10?,19?,21-,23+,24-,25-,26?,27?,28+,29+/m0/s1
InChIKeyXQKBGHNKHIYCQA-DMYIILCWSA-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)
Tricin 7-rutinoside (CHEBI:168402) is a flavonoids (CHEBI:72544)
Tricin 7-rutinoside (CHEBI:168402) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,4S,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
24843881ChemSpider
LMPK12110866LIPID MAPS