CHEBI:73778 - eriosemaone C

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ChEBI Name eriosemaone C
ChEBI ID CHEBI:73778
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H30O8
Net Charge 0
Average Mass 530.56510
Monoisotopic Mass 530.19407
InChI InChI=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
InChIKey XFFLLCTVQRLAND-VWLOTQADSA-N
SMILES CC(C)=CCc1c2OC(C)(C)C=Cc2cc2C(=O)C[C@H](Oc12)c1c(O)c(O)cc(c1O)-c1ccc(O)cc1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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]flavanone LIPID MAPS
Manual Xref Database
LMPK12140004 LIPID MAPS
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Registry Number Type Source
7325384 Reaxys Registry Number Reaxys
Last Modified
11 July 2013