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CHEBI:73778 - eriosemaone C

ChEBI IDCHEBI:73778
ChEBI Nameeriosemaone C
Stars
DefinitionAn extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 2', 3', and 6', a 2,4-dihyroxyphenyl group at position 5', a prenyl group at position 8 and a gem-dimethylpyran ring fused across positions 6 and 7.
Last Modified11 July 2013
Submittermwilliams
DownloadsMolfile
FormulaC31H30O8
Net Charge0
Average Mass530.573
Monoisotopic Mass530.19407
SMILESCC(C)=CCc1c2c(cc3c1O[C@H](c1c(O)c(O)cc(-c4ccc(O)cc4O)c1O)CC3=O)C=CC(C)(C)O2
InChIInChI=1S/C31H30O8/c1-15(2)5-7-19-29-16(9-10-31(3,4)39-29)11-21-23(34)14-25(38-30(19)21)26-27(36)20(13-24(35)28(26)37)18-8-6-17(32)12-22(18)33/h5-6,8-13,25,32-33,35-37H,7,14H2,1-4H3/t25-/m0/s1
InChIKeyXFFLLCTVQRLAND-VWLOTQADSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
eriosemaone C (CHEBI:73778) has role metabolite (CHEBI:25212)
eriosemaone C (CHEBI:73778) is a extended flavonoid (CHEBI:71037)
eriosemaone C (CHEBI:73778) is a pyranochromane (CHEBI:74632)
eriosemaone C (CHEBI:73778) is a resorcinols (CHEBI:33572)
eriosemaone C (CHEBI:73778) is a trihydroxyflavanone (CHEBI:38739)
IUPAC Name 
(8S)-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-8-(2,2',4,4',5-pentahydroxybiphenyl-3-yl)-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one
Synonym  Source
(S)-2',3',6'-Trihydroxy-8-prenyl-5'-(2,4-dihydroxyphenyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanoneLIPID MAPS
Manual XrefsDatabases
LMPK12140004LIPID MAPS
Registry NumbersSources
Reaxys:7325384Reaxys