CHEBI:184828 - Eriotriochin

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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 Eriotriochin
ChEBI ID CHEBI:184828
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O7
Net Charge 0
Average Mass 466.530
Monoisotopic Mass 466.19915
InChI InChI=1S/C27H30O7/c1-15(2)5-10-18-25-19(13-21(34-25)27(3,4)33-12-11-28)23(30)22-24(31)20(14-32-26(18)22)16-6-8-17(29)9-7-16/h5-9,14,21,28-30H,10-13H2,1-4H3
InChIKey GOCBWVPDSGUSDT-UHFFFAOYSA-N
SMILES O1C(C(OCCO)(C)C)CC=2C1=C(C=3OC=C(C(=O)C3C2O)C4=CC=C(O)C=C4)CC=C(C)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 Eriotriochin (CHEBI:184828) is a isoflavanones (CHEBI:38741)
IUPAC Name
4-hydroxy-2-[2-(2-hydroxyethoxy)propan-2-yl]-6-(4-hydroxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrouro[3,2-g]chromen-5-one
Manual Xrefs Databases
115849 ChemSpider
LMPK12050186 LIPID MAPS
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Registry Number Type Source
128585-07-9 CAS Registry Number ChemIDplus