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CHEBI:221109 - Maculalactone M

ChEBI IDCHEBI:221109
ChEBI NameMaculalactone M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H28O5
Net Charge0
Average Mass516.593
Monoisotopic Mass516.19367
SMILESO=C(O)C[C@H](c1ccccc1)[C@@]1(Cc2ccccc2)OC(=O)C(Cc2ccccc2)=C1C(=O)c1ccccc1
InChIInChI=1S/C34H28O5/c35-30(36)22-29(26-17-9-3-10-18-26)34(23-25-15-7-2-8-16-25)31(32(37)27-19-11-4-12-20-27)28(33(38)39-34)21-24-13-5-1-6-14-24/h1-20,29H,21-23H2,(H,35,36)/t29-,34-/m1/s1
InChIKeyCOUKTGIAAFYSMG-ANHUGMMASA-N
Species of MetaboliteComponentSourceComments
Kyrtuthrix (ncbitaxon:1906669) - DOI (10.1016/s0031-9422(02)00138-3)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Maculalactone M (CHEBI:221109) is a benzenes (CHEBI:22712)
Maculalactone M (CHEBI:221109) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
(3R)-3-[(2R)-3-benzoyl-2,4-dibenzyl-5-oxouran-2-yl]-3-phenylpropanoic acid
Manual XrefsDatabases
27026121ChemSpider