CHEBI:185807 - Androechin

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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 Androechin
ChEBI ID CHEBI:185807
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O10
Net Charge 0
Average Mass 448.424
Monoisotopic Mass 448.13695
InChI InChI=1S/C22H24O10/c1-30-12-8-15(26)18(14(25)7-6-11-4-2-3-5-13(11)24)16(9-12)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-6+/t17?,19-,20+,21?,22-/m1/s1
InChIKey DBDVNEPYCHFXLY-FDWXWSKHSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=C(O)C=C(OC)C2)C(=O)/C=C/C=3C(O)=CC=CC3)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 Androechin (CHEBI:185807) is a flavonoids (CHEBI:72544)
Androechin (CHEBI:185807) is a glycoside (CHEBI:24400)
IUPAC Name
(E)-1-[2-hydroxy-4-methoxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(2-hydroxyphenyl)prop-2-en-1-one
Manual Xrefs Databases
24845949 ChemSpider
LMPK12120199 LIPID MAPS
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