CHEBI:186476 - Adunctin C

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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 Adunctin C
ChEBI ID CHEBI:186476
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H30O4
Net Charge 0
Average Mass 406.522
Monoisotopic Mass 406.21441
InChI InChI=1S/C26H30O4/c1-17(2)19-11-13-26(14-12-19)16-20-23(29-3)15-22(28)24(25(20)30-26)21(27)10-9-18-7-5-4-6-8-18/h4-8,11,13,15,17,19,28H,9-10,12,14,16H2,1-3H3/t19-,26+/m0/s1
InChIKey NVHLTNASIPVGQS-AFMDSPMNSA-N
SMILES O1[C@]2(CC[C@@H](C(C)C)C=C2)CC=3C1=C(C(O)=CC3OC)C(=O)CCC4=CC=CC=C4
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 Adunctin C (CHEBI:186476) is a chalcones (CHEBI:23086)
IUPAC Name
1-[(2R,6'S)-6-hydroxy-4-methoxy-6'-propan-2-ylspiro[3H-1-benzouran-2,3'-cyclohexene]-7-yl]-3-phenylpropan-1-one
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24846085 ChemSpider
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