CHEBI:185142 - 3'-Deoxymaysin

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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 3'-Deoxymaysin
ChEBI ID CHEBI:185142
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H28O13
Net Charge 0
Average Mass 560.508
Monoisotopic Mass 560.15299
InChI InChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19,22-28,30-31,33-36H,1-2H3/t9?,10?,19-,22-,23-,24?,25+,26?,27-/m0/s1
InChIKey LCQVQAZLYBJMGJ-XDCXFRLHSA-N
SMILES O(C1[C@](OC(C(=O)[C@@H]1O)C)(C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C2O)[H])[C@@H]5OC([C@H](O)[C@H](O)C5O)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 3'-Deoxymaysin (CHEBI:185142) is a C-glycosyl compound (CHEBI:20857)
3'-Deoxymaysin (CHEBI:185142) is a flavonoids (CHEBI:72544)
IUPAC Name
5,7-dihydroxy-6-[(2R,4R)-4-hydroxy-6-methyl-5-oxo-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(4-hydroxyphenyl)chromen-4-one
Manual Xrefs Databases
24843303 ChemSpider
LMPK12110249 LIPID MAPS
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