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CHEBI:185810 - Paratocarpin G

ChEBI IDCHEBI:185810
ChEBI NameParatocarpin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILES[H][C@@]1(C(C)(C)O)Oc2ccc(/C=C/C(=O)c3ccc(O)c(CC=C(C)C)c3O)cc2[C@H]1O
InChIInChI=1S/C25H28O6/c1-14(2)5-8-16-20(27)11-9-17(22(16)28)19(26)10-6-15-7-12-21-18(13-15)23(29)24(31-21)25(3,4)30/h5-7,9-13,23-24,27-30H,8H2,1-4H3/b10-6+/t23-,24-/m1/s1
InChIKeyJNJNAVYFPDNHIC-HKOZKTRXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Paratocarpin G (CHEBI:185810) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[(2R,3R)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]prop-2-en-1-one
Manual XrefsDatabases
LMPK12120037LIPID MAPS
24845873ChemSpider