CHEBI:201252 - Maculalactone E

ChEBI IDCHEBI:201252
ChEBI NameMaculalactone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H30O4
Net Charge0
Average Mass502.610
Monoisotopic Mass502.21441
SMILESO=C1O[C@@]2(Cc3ccccc3)C(=C1Cc1ccccc1)[C@@](O)(c1ccccc1)[C@@H](O)C[C@@H]2c1ccccc1
InChIInChI=1S/C34H30O4/c35-30-22-29(26-17-9-3-10-18-26)33(23-25-15-7-2-8-16-25)31(34(30,37)27-19-11-4-12-20-27)28(32(36)38-33)21-24-13-5-1-6-14-24/h1-20,29-30,35,37H,21-23H2/t29-,30+,33-,34-/m1/s1
InChIKeyNQTOOGBFGKMSCH-GBWWDHKLSA-N
Species of MetaboliteComponentSourceComments
Kyrtuthrix (ncbitaxon:1906669) - PubMed (9548830)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Maculalactone E (CHEBI:201252) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(4S,5S,7R,7aR)-3,7a-dibenzyl-4,5-dihydroxy-4,7-diphenyl-6,7-dihydro-5H-1-benzouran-2-one
Manual XrefsDatabases
9974299ChemSpider