CHEBI:187205 - Methyllinderatin

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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 Methyllinderatin
ChEBI ID CHEBI:187205
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H32O4
Net Charge 0
Average Mass 408.538
Monoisotopic Mass 408.23006
InChI InChI=1S/C26H32O4/c1-16(2)19-12-10-17(3)14-20(19)24-23(30-4)15-22(28)25(26(24)29)21(27)13-11-18-8-6-5-7-9-18/h5-9,14-16,19-20,28-29H,10-13H2,1-4H3/t19-,20+/m1/s1
InChIKey OJZQYJGQIQVZMQ-UXHICEINSA-N
SMILES O(C1=C([C@@]2([C@H](CCC(=C2)C)C(C)C)[H])C(O)=C(C(O)=C1)C(=O)CCC3=CC=CC=C3)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 Methyllinderatin (CHEBI:187205) is a chalcones (CHEBI:23086)
IUPAC Name
1-[2,6-dihydroxy-4-methoxy-3-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]phenyl]-3-phenylpropan-1-one
Manual Xrefs Databases
24958880 ChemSpider
LMPK12120503 LIPID MAPS
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