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CHEBI:220110 - Maculalactone H

ChEBI IDCHEBI:220110
ChEBI NameMaculalactone H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H30O6
Net Charge0
Average Mass534.608
Monoisotopic Mass534.20424
SMILESO=C1O[C@]2(C(O)c3ccccc3)[C@@H](c3ccccc3)C[C@H](O)[C@](O)(c3ccccc3)[C@]23O[C@]13Cc1ccccc1
InChIInChI=1S/C34H30O6/c35-28-21-27(24-15-7-2-8-16-24)33(29(36)25-17-9-3-10-18-25)34(32(28,38)26-19-11-4-12-20-26)31(40-34,30(37)39-33)22-23-13-5-1-6-14-23/h1-20,27-29,35-36,38H,21-22H2/t27-,28+,29?,31-,32-,33+,34+/m1/s1
InChIKeyNMHJQXMIRNYVEX-JEQGAVSCSA-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 H (CHEBI:220110) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(1aS,3aS,4R,6S,7R,7aS)-1a-benzyl-6,7-dihydroxy-3a-[hydroxy(phenyl)methyl]-4,7-diphenyl-5,6-dihydro-4H-oxireno[2,3-c][1]benzouran-2-one
Manual XrefsDatabases
10229240ChemSpider