CHEBI:184274 - (-)-Neolinderatin

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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 (-)-Neolinderatin
ChEBI ID CHEBI:184274
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H46O4
Net Charge 0
Average Mass 530.749
Monoisotopic Mass 530.33961
InChI InChI=1S/C35H46O4/c1-20(2)25-15-12-22(5)18-27(25)30-33(37)31(28-19-23(6)13-16-26(28)21(3)4)35(39)32(34(30)38)29(36)17-14-24-10-8-7-9-11-24/h7-11,18-21,25-28,37-39H,12-17H2,1-6H3/t25-,26-,27+,28+/m0/s1
InChIKey FQRJPQZSBBWOMS-YVHASNINSA-N
SMILES OC1=C([C@]2([C@@H](CCC(=C2)C)C(C)C)[H])C(O)=C(C(O)=C1[C@]3([C@@H](CCC(=C3)C)C(C)C)[H])C(=O)CCC4=CC=CC=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). See: MetaboLights Study
ChEBI Ontology
Outgoing (-)-Neolinderatin (CHEBI:184274) is a chalcones (CHEBI:23086)
IUPAC Name
3-phenyl-1-[2,4,6-trihydroxy-3,5-bis[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]phenyl]propan-1-one
Manual Xrefs Databases
24846148 ChemSpider
LMPK12120613 LIPID MAPS
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