CHEBI:187649 - Phellodensin F

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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 Phellodensin F
ChEBI ID CHEBI:187649
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30O10
Net Charge 0
Average Mass 502.516
Monoisotopic Mass 502.18390
InChI InChI=1S/C26H30O10/c1-12(2)3-8-15-19(35-26-24(33)23(32)22(31)20(11-27)36-26)10-17(30)21-16(29)9-18(34-25(15)21)13-4-6-14(28)7-5-13/h3-7,10,18,20,22-24,26-28,30-33H,8-9,11H2,1-2H3/t18-,20?,22+,23-,24?,26+/m0/s1
InChIKey BMYUIXRQCPBGKG-SKSDNVLZSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2)C4=CC=C(O)C=C4)CC=C(C)C)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 Phellodensin F (CHEBI:187649) is a flavonoids (CHEBI:72544)
Phellodensin F (CHEBI:187649) is a glycoside (CHEBI:24400)
IUPAC Name
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual Xrefs Databases
24846348 ChemSpider
LMPK12140229 LIPID MAPS
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