CHEBI:186393 - Barbatoflavan

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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 Barbatoflavan
ChEBI ID CHEBI:186393
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H28O13
Net Charge 0
Average Mass 524.475
Monoisotopic Mass 524.15299
InChI InChI=1S/C24H28O13/c1-9(26)34-16-6-11-15(33-2)7-14(29)23(37-24-20(32)19(31)18(30)17(8-25)35-24)22(11)36-21(16)10-3-4-12(27)13(28)5-10/h3-5,7,16-21,24-25,27-32H,6,8H2,1-2H3/t16-,17?,18-,19+,20?,21-,24+/m1/s1
InChIKey GWCKEYBXVJCUKX-HORCYSQOSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C3O[C@@H]([C@H](OC(=O)C)CC3=C(OC)C=C2O)C4=CC(O)=C(O)C=C4)CO
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 Barbatoflavan (CHEBI:186393) is a flavonoids (CHEBI:72544)
Barbatoflavan (CHEBI:186393) is a glycoside (CHEBI:24400)
IUPAC Name
[(2R,3R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] acetate
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24842583 ChemSpider
LMPK12020150 LIPID MAPS
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