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CHEBI:186800 - Kazinol E

ChEBI IDCHEBI:186800
ChEBI NameKazinol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O4
Net Charge0
Average Mass462.630
Monoisotopic Mass462.27701
SMILES[H][C@@]1(c2cc(O)c(O)c(CC=C(C)C)c2CC=C(C)C)CCc2cc(C(C)(C)C=C)c(O)cc2O1
InChIInChI=1S/C30H38O4/c1-8-30(6,7)24-15-20-11-14-27(34-28(20)17-25(24)31)23-16-26(32)29(33)22(13-10-19(4)5)21(23)12-9-18(2)3/h8-10,15-17,27,31-33H,1,11-14H2,2-7H3/t27-/m0/s1
InChIKeyRPBKTSQYNACKIG-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kazinol E (CHEBI:186800) is a flavans (CHEBI:38672)
IUPAC Name 
5-[(2S)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol
Manual XrefsDatabases
LMPK12020237LIPID MAPS
421913ChemSpider
Registry NumbersSources
CAS:104494-34-0ChemIDplus