CHEBI:186433 - 3'-O-Methylmaysin

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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'-O-Methylmaysin
ChEBI ID CHEBI:186433
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H30O14
Net Charge 0
Average Mass 590.534
Monoisotopic Mass 590.16356
InChI InChI=1S/C28H30O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20,23-29,31-32,34-37H,1-3H3/t9?,10?,20-,23-,24-,25?,26+,27?,28-/m0/s1
InChIKey OKTXLUXOQRQVRH-ZXDLGETLSA-N
SMILES O(C1[C@](OC(C(=O)[C@@H]1O)C)(C2=C(O)C3=C(OC(=CC3=O)C4=CC(OC)=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'-O-Methylmaysin (CHEBI:186433) is a C-glycosyl compound (CHEBI:20857)
3'-O-Methylmaysin (CHEBI:186433) is a flavonoids (CHEBI:72544)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,4R)-4-hydroxy-6-methyl-5-oxo-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one
Manual Xrefs Databases
24843780 ChemSpider
LMPK12110757 LIPID MAPS
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