CHEBI:186654 - 2',4',6',3,4-Pentahydroxy-3'-geranyl-5-prenyldihydrochalcone

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ChEBI Name 2',4',6',3,4-Pentahydroxy-3'-geranyl-5-prenyldihydrochalcone
ChEBI ID CHEBI:186654
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H38O6
Net Charge 0
Average Mass 494.628
Monoisotopic Mass 494.26684
InChI InChI=1S/C30H38O6/c1-18(2)7-6-8-20(5)10-13-23-25(32)17-26(33)28(30(23)36)24(31)14-11-21-15-22(12-9-19(3)4)29(35)27(34)16-21/h7,9-10,15-17,32-36H,6,8,11-14H2,1-5H3/b20-10+
InChIKey ZCEVYOUGVBIIAG-KEBDBYFISA-N
SMILES OC1=C(C\C=C(\CCC=C(C)C)/C)C(O)=CC(O)=C1C(=O)CCC2=CC(CC=C(C)C)=C(O)C(O)=C2
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 2',4',6',3,4-Pentahydroxy-3'-geranyl-5-prenyldihydrochalcone (CHEBI:186654) is a chalcones (CHEBI:23086)
IUPAC Name
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]propan-1-one
Manual Xrefs Databases
24846100 ChemSpider
LMPK12120532 LIPID MAPS
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