CHEBI:185974 - Derrichalcone

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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 Derrichalcone
ChEBI ID CHEBI:185974
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28O7
Net Charge 0
Average Mass 452.503
Monoisotopic Mass 452.18350
InChI InChI=1S/C26H28O7/c1-25(2)13-12-16-20(29)18(17(28)11-8-14-6-9-15(27)10-7-14)23-19(22(16)32-25)21(30)24(31-5)26(3,4)33-23/h6-13,21,24,27,29-30H,1-5H3/b11-8+/t21-,24+/m0/s1
InChIKey LJHGFVOYNHBEEI-JSICGULGSA-N
SMILES O1C([C@H](OC)[C@@H](O)C=2C1=C(C(O)=C3C2OC(C=C3)(C)C)C(=O)/C=C/C4=CC=C(O)C=C4)(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 Derrichalcone (CHEBI:185974) is a chalcones (CHEBI:23086)
IUPAC Name
(E)-1-[(9R,10S)-5,10-dihydroxy-9-methoxy-2,2,8,8-tetramethyl-9,10-dihydropyrano[2,3-]chromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Manual Xrefs Databases
24845982 ChemSpider
LMPK12120261 LIPID MAPS
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