CHEBI:186202 - 8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside

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ChEBI Name 8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside
ChEBI ID CHEBI:186202
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H42O15
Net Charge 0
Average Mass 690.695
Monoisotopic Mass 690.25237
InChI InChI=1S/C34H42O15/c1-13(2)7-9-17-21(44-6)12-19(36)22-24(38)32(30(47-31(17)22)16-8-10-20(43-5)18(35)11-16)49-34-28(42)26(40)29(15(4)46-34)48-33-27(41)25(39)23(37)14(3)45-33/h7-8,10-12,14-15,23,25-29,33-37,39-42H,9H2,1-6H3/t14?,15?,23-,25?,26?,27-,28-,29-,33-,34-/m0/s1
InChIKey NSBMHMYRKNRGCQ-VZVOGRHGSA-N
SMILES O([C@@H]1C(O)[C@H](O)[C@@H](OC1C)OC2=C(OC3=C(C2=O)C(O)=CC(OC)=C3CC=C(C)C)C4=CC(O)=C(OC)C=C4)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside (CHEBI:186202) is a flavonoids (CHEBI:72544)
8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside (CHEBI:186202) is a glycoside (CHEBI:24400)
IUPAC Name
3-[(2S,3S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
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24845312 ChemSpider
LMPK12112644 LIPID MAPS
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