CHEBI:185138 - Scutellarein 7-xylosyl-(1->4)rhamnoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Scutellarein 7-xylosyl-(1->4)rhamnoside
ChEBI ID CHEBI:185138
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28O14
Net Charge 0
Average Mass 564.496
Monoisotopic Mass 564.14791
InChI InChI=1S/C26H28O14/c1-9-24(40-25-22(34)18(30)13(29)8-36-25)21(33)23(35)26(37-9)39-16-7-15-17(20(32)19(16)31)12(28)6-14(38-15)10-2-4-11(27)5-3-10/h2-7,9,13,18,21-27,29-35H,8H2,1H3/t9-,13+,18-,21?,22?,23?,24-,25-,26-/m0/s1
InChIKey PWSLQEGYLXOJNB-IOHXHIHISA-N
SMILES O([C@@H]1C(O)C(O)[C@@H](O[C@H]1C)OC2=C(O)C(O)=C3C(OC(=CC3=O)C4=CC=C(O)C=C4)=C2)[C@@H]5OC[C@@H](O)[C@H](O)C5O
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 Scutellarein 7-xylosyl-(1->4)rhamnoside (CHEBI:185138) is a flavonoids (CHEBI:72544)
Scutellarein 7-xylosyl-(1->4)rhamnoside (CHEBI:185138) is a glycoside (CHEBI:24400)
IUPAC Name
7-[(2S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,6-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual Xrefs Databases
24844047 ChemSpider
LMPK12111111 LIPID MAPS
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