CHEBI:184781 - Miconioside B

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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 Miconioside B
ChEBI ID CHEBI:184781
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H34O14
Net Charge 0
Average Mass 594.566
Monoisotopic Mass 594.19486
InChI InChI=1S/C28H34O14/c1-11-19(32)18-15(31)7-16(13-3-5-14(30)6-4-13)40-24(18)12(2)23(11)42-26-22(35)21(34)20(33)17(41-26)8-38-27-25(36)28(37,9-29)10-39-27/h3-6,16-17,20-22,25-27,29-30,32-37H,7-10H2,1-2H3/t16-,17?,20+,21-,22?,25+,26-,27+,28?/m0/s1
InChIKey KABGCWRGCBCLOH-NTYVDSKLSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2C)C4=CC=C(O)C=C4)C)CO[C@@H]5OCC(O)([C@@H]5O)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 Miconioside B (CHEBI:184781) is a flavonoids (CHEBI:72544)
Miconioside B (CHEBI:184781) is a glycoside (CHEBI:24400)
IUPAC Name
(2S)-7-[(2S,4S,5S)-6-[[(2R,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
Manual Xrefs Databases
24846353 ChemSpider
LMPK12140234 LIPID MAPS
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