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CHEBI:214561 - Curtisian E

ChEBI IDCHEBI:214561
ChEBI NameCurtisian E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H36O12
Net Charge0
Average Mass672.683
Monoisotopic Mass672.22068
SMILESCC(=O)Oc1c(OC(=O)C[C@H](C)O)c(-c2ccc(O)cc2)c(OC(=O)CCc2ccccc2)c(OC(=O)C[C@H](C)O)c1-c1ccc(O)cc1
InChIInChI=1S/C37H36O12/c1-21(38)19-30(44)48-35-33(26-12-16-28(42)17-13-26)36(47-29(43)18-9-24-7-5-4-6-8-24)37(49-31(45)20-22(2)39)32(34(35)46-23(3)40)25-10-14-27(41)15-11-25/h4-8,10-17,21-22,38-39,41-42H,9,18-20H2,1-3H3/t21-,22-/m0/s1
InChIKeyZSZFXMPJLHYIGN-VXKWHMMOSA-N
Species of MetaboliteComponentSourceComments
Pseudomerulius curtisii (ncbitaxon:693315) - DOI (10.1016/s0031-9422(03)00263-2)
ChEBI Ontology
Outgoing Relation(s)
Curtisian E (CHEBI:214561) is a para-terphenyl (CHEBI:75874)
IUPAC Name 
[2-acetyloxy-4-[(3S)-3-hydroxybutanoyl]oxy-3,6-bis(4-hydroxyphenyl)-5-(3-phenylpropanoyloxy)phenyl] (3S)-3-hydroxybutanoate
Manual XrefsDatabases
10186412ChemSpider