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CHEBI:186476 - Adunctin C

ChEBI IDCHEBI:186476
ChEBI NameAdunctin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O4
Net Charge0
Average Mass406.522
Monoisotopic Mass406.21441
SMILESCOc1cc(O)c(C(=O)CCc2ccccc2)c2c1C[C@]1(C=C[C@H](C(C)C)CC1)O2
InChIInChI=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
InChIKeyNVHLTNASIPVGQS-AFMDSPMNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
24846085ChemSpider
LMPK12120507LIPID MAPS