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CHEBI:185635 - Calyxin G

ChEBI IDCHEBI:185635
ChEBI NameCalyxin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H34O8
Net Charge0
Average Mass582.649
Monoisotopic Mass582.22537
SMILESCOc1cc(O)c(C2C[C@H](CCc3ccc(O)cc3)O[C@@H](c3ccc(O)cc3)C2)c2c1C(=O)CC(c1ccc(O)cc1)O2
InChIInChI=1S/C35H34O8/c1-41-32-19-28(39)33(35-34(32)29(40)18-31(43-35)22-7-13-26(38)14-8-22)23-16-27(15-4-20-2-9-24(36)10-3-20)42-30(17-23)21-5-11-25(37)12-6-21/h2-3,5-14,19,23,27,30-31,36-39H,4,15-18H2,1H3/t23?,27-,30+,31?/m0/s1
InChIKeyJHPJOKVLYIDVMB-GLUDPULISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Calyxin G (CHEBI:185635) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
7-hydroxy-2-(4-hydroxyphenyl)-8-[(2R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-5-methoxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846550ChemSpider
LMPK12140543LIPID MAPS